SCHEMBL8106923

SCHEMBL8106923

C=C(C)C(=O)OC(C)N(CC)CC.[NH3+][O-]

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL14873 0.94 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL28273631 0.94 TSHR (0.44) TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL9258461 0.93 TSHR (0.42) TSHRALDH1A1THRB
Ammonia Solution, Strong SCHEMBL28263372 0.93 TSHR (0.42) TSHRALDH1A1THRB
Chloromethane SCHEMBL1128070 0.91 TSHR (0.41) TSHRALDH1A1THRB
Isopropyl Alcohol SCHEMBL20480785 0.91 TSHR (0.41) TSHRALDH1A1THRB
Acetic Acid SCHEMBL27216306 0.91 TSHR (0.41) TSHRALDH1A1THRB
Methacrylic Acid SCHEMBL1060299 0.89 TSHR (0.40) TSHRALDH1A1THRB
Boric Acid SCHEMBL8763863 0.89 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL8762474 0.88 TDP1 (0.41) TSHRALDH1A1THRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892819-B1 OIL, WATER AND SOLVENT RESISTANT PAPER BY TREATMENT WITH FLUOROCHEMICAL COPOLYMERS DU PONT (US) 2000-07-05 EP disclosed
EP-0892819-A1 OIL, WATER AND SOLVENT RESISTANT PAPER BY TREATMENT WITH FLUOROCHEMICAL COPOLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-27 EP disclosed
WO-1997039036-A1 OIL, WATER AND SOLVENT RESISTANT PAPER BY TREATMENT WITH FLUOROCHEMICAL COPOLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-10-23 WO disclosed
US-5674961-A SURFACE TREATMENT WITH PROTECTIVE COATING E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-10-07 US disclosed
US-4147851-A PERFLUOROALIPHATIC ACRYLATE, QUATERNARY AMMONIUM SALT OR AMINE OXIDE OF DIALKYLAMINOALKYL ACRYLATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-03 US disclosed