SCHEMBL4604572

SCHEMBL4604572

BC#N.CC(O)CCCCCCCCCCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
DNM1 Q05193 3/20 0.37
TRPV1 Q8NER1 1/20 0.30
TRPA1 O75762 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4604540 1.00 ALDH1A1 (0.42) ALDH1A1TSHRDNM1TRPV1TRPA1
SCHEMBL10441028 0.88 ALDH1A1 (0.55) ALDH1A1TSHRDNM1TRPV1TRPA1
SCHEMBL10871343 0.88 ALDH1A1 (0.55) ALDH1A1TSHRDNM1TRPV1TRPA1
SCHEMBL4590729 0.88 ALDH1A1 (0.55) ALDH1A1TSHRDNM1TRPV1TRPA1
SCHEMBL7454184 0.85 ALDH1A1 (0.50) ALDH1A1TSHRDNM1TRPV1TRPA1
Ammonia Solution, Strong SCHEMBL3819671 0.83 ALDH1A1 (0.48) ALDH1A1TSHRDNM1TRPV1TRPA1
SCHEMBL1729349 0.81 ALDH1A1 (0.65) ALDH1A1TSHRDNM1
SCHEMBL557310 0.79
SCHEMBL22894143 0.79
Dimethylundecylamine Cyanoborane SCHEMBL1727625 0.73 DNM1 (0.71) ALDH1A1TSHRDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940421-A1 USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) 2008-07-09 EP claimed
WO-2007032004-A1 USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-03-22 WO claimed
EP-1940421-A1 USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) 2008-07-09 EP disclosed
EP-1934234-A2 NOVEL AMINE-BORANE COMPOUNDS AND USES THEREOF Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) 2008-06-25 EP disclosed
WO-2007032004-A1 USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-03-22 WO disclosed
WO-2007032005-A2 NOVEL AMINE-BORANE COMPOUNDS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-03-22 WO disclosed