SCHEMBL6443684

SCHEMBL6443684

F[N+]1(C2CCCCCCC2)CCCCNCC1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36

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
Azepane SCHEMBL3969610 0.68 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3540185 0.65 ALDH1A1 (0.32) ALDH1A1
Pyrrolidine SCHEMBL25220274 0.62 ALDH1A1 (0.60) ALDH1A1
SCHEMBL8253733 0.60 ALDH1A1 (1.00) ALDH1A1
Piperidine SCHEMBL11283826 0.60
SCHEMBL3069642 0.60 ALDH1A1 (1.00) ALDH1A1
Azepane SCHEMBL11361504 0.60
SCHEMBL11508384 0.60 ALDH1A1 (1.00) ALDH1A1
SCHEMBL20847839 0.60 ALDH1A1 (0.56) ALDH1A1
Piperidine SCHEMBL21819962 0.60 ALDH1A1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075501-A1 Ammonium compounds bearing and electrophilic fluorine, reagent containing same, method using same and synthesis method for obtaining them RHODIA CHIMIE (FR) 2005-04-07 US claimed
EP-1284975-B1 AMMONIUM COMPOUNDS BEARING AN ELECTROPHILIC FLUORINE, REAGENT CONTAINING SAME, METHOD USING SAME AND SYNTHESIS METHOD FOR OBTAINING THEM RHODIA CHIMIE SA (FR) 2004-08-18 EP claimed
EP-1284975-A1 AMMONIUM COMPOUNDS BEARING AN ELECTROPHILIC FLUORINE, REAGENT CONTAINING SAME, METHOD USING SAME AND SYNTHESIS METHOD FOR OBTAINING THEM RHODIA CHIMIE (FR) 2003-02-26 EP claimed
WO-2001090107-A1 AMMONIUM COMPOUNDS BEARING AN ELECTROPHILIC FLUORINE, REAGENT CONTAINING SAME, METHOD USING SAME AND SYNTHESIS METHOD FOR OBTAINING THEM RHODIA CHIMIE (FR) 2001-11-29 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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-20050075501-A1 Ammonium compounds bearing and electrophilic fluorine, reagent containing same, method using same and synthesis method for obtaining them ARF5, AFF2, ARFGEF1 ALDH1A1 2219/4885

“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.