SCHEMBL3909217

SCHEMBL3909217

C=CCB(CCCCC)CCCCC

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.33
FAAH O00519 1/20 0.31
ANPEP P15144 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
Ammonia Solution, Strong SCHEMBL3916502 0.98 TSHR (0.42) TSHRALDH1A1THRBFAAH
SCHEMBL8967235 0.93 TSHR (0.48) TSHRALDH1A1THRBFAAH
SCHEMBL8966628 0.92 TSHR (0.43) TSHRALDH1A1ANPEP
SCHEMBL7759534 0.87 TSHR (0.43) TSHRALDH1A1ANPEP
SCHEMBL8966736 0.81 TSHR (0.38) TSHRALDH1A1
SCHEMBL23853594 0.76 TSHR (0.41) TSHRALDH1A1THRBFAAHANPEP
SCHEMBL88650 0.74 TSHR (0.50) TSHRALDH1A1THRBANPEP
SCHEMBL11524980 0.74 TSHR (0.50) TSHRALDH1A1THRBANPEP
SCHEMBL11331724 0.72 TSHR (0.57) TSHRALDH1A1THRB
SCHEMBL8845927 0.72 TSHR (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009137937-A METHOD FOR PRODUCING ALKYL(DIARYL)BORANE HOKKO CHEM IND CO LTD 2009-06-25 JP disclosed