Fluoride

Fluoride

SCHEMBL73856

CC(C)C(CN)C(C)C.F.F.F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TAAR1 Q96RJ0 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Fluoride SCHEMBL1025918 1.00 ALDH1A1 (0.44) ALDH1A1TAAR1
SCHEMBL1979 0.96
Hydrochloric Acid SCHEMBL366444 0.92 ALDH1A1 (0.44) ALDH1A1TAAR1
Ammonia Solution, Strong SCHEMBL6136995 0.92 ALDH1A1 (0.44) ALDH1A1TAAR1
Bromide SCHEMBL1999327 0.92 ALDH1A1 (0.44) ALDH1A1TAAR1
SCHEMBL3210302 0.92 ALDH1A1 (0.44) ALDH1A1TAAR1
SCHEMBL4727402 0.92 ALDH1A1 (0.44) ALDH1A1TAAR1
Trimethylammonium SCHEMBL4940105 0.86 ALDH1A1 (0.39) ALDH1A1
SCHEMBL4787789 0.86 ALDH1A1 (0.39) ALDH1A1
Dimethylamine SCHEMBL6889985 0.83 ALDH1A1 (0.37) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 EP disclosed
EP-2091926-B1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2015-10-21 EP disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO disclosed
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 US disclosed
EP-1765789-B1 N-(1-(1-BENZYL-4-PHENYL-1H-IMIDAZOL-2-YL)-2,2-DIMETHYLPROPYL)BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2013-02-27 EP disclosed
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 US disclosed
US-8318791-B2 Substituted imidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-11-27 US disclosed
EP-2493297-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-09-05 EP disclosed
US-8129358-B2 Substituted pyrazole and triazole compounds as KSP inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
WO-2006002236-A1 N- (1- (1-BENZYL -4-PHENYL-1H-IMIDAZOL-2-YL) -2,2-DYMETHYLPROPYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-01-05 WO disclosed
US-20050215777-A1 Synthesizing nucleic acid, contacting with a alkylamine, loading mixture onto media and applying a purification gradient using a suitable elution buffer; one pot deprotection; solution phase synthesis; solid phase synthesis SIRNA THERAPEUTICS, INC. (US) 2005-09-29 US disclosed
EP-1539778-A2 DEPROTECTION AND PURIFICATION OF OLIGONUCLEOTIDES AND THEIR DERIVATIVES Sirna Therapeutics, Inc. (US) 2005-06-15 EP disclosed
US-6841507-B2 Aminonitrile production INVISTA NORTH AMERICA S.A.R.L. (US) 2005-01-11 US disclosed
US-20040102644-A1 Aminonitrile production INVISTA NORTH AMERICA S.A.R.L. 2004-05-27 US disclosed
US-6737540-B2 Aminonitrile production E. I. DUPONT DE NEMOURS AND COMPANY 2004-05-18 US disclosed
US-20040048251-A1 Deprotection and purification of oligonucleotides and their derivatives SIRNA THERAPEUTICS, INC. 2004-03-11 US disclosed
WO-2004007748-A2 DEPROTECTION AND PURIFICATION OF OLIGONUCLEOTIDES AND THEIR DERIVATIVES SIRNA THERAPEUTICS, INC. (US) 2004-01-22 WO disclosed
US-20030171609-A1 Aminonitrile production INVISTA NORTH AMERICA S.A.R.L. 2003-09-11 US disclosed
US-6569802-B1 Catalyst for selective hydrogenation of dinitriles E. I. DU PONT DE NEMOURS AND COMPANY 2003-05-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES ABCG2, CYP2C19, AADAC ALDH1A1 408/4885TAAR1 2135/4885
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB ALDH1A1 1468/4885TAAR1 4536/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.