SCHEMBL30797232

SCHEMBL30797232

BrCc1ccc(I)c(I)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL11484838 1.00 TRPA1 (0.38) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL6629667 0.80 TRPA1 (0.35) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL30345116 0.80 TRPA1 (0.35) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL5892854 0.80 TRPA1 (0.35) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL17151870 0.80 TRPA1 (0.35) TRPA1ALDH1A1TSHR
SCHEMBL1640915 0.78 CYP4F2 (0.39) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL1423488 0.78 TRPA1 (0.33) TRPA1ALDH1A1TSHR
SCHEMBL29865270 0.78 TRPA1 (0.33) TRPA1ALDH1A1TSHR
SCHEMBL5722654 0.78 CYP1A2 (0.33) TRPA1ALDH1A1TSHR
SCHEMBL5158103 0.78 CYP4F2 (0.42) TRPA1ALDH1A1TSHRCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586440-B Iodinated polyhydroxy polymer, preparation method and liquid embolic agent prepared from iodinated polyhydroxy polymer 苏州美创医疗科技有限公司 2024-04-09 CN claimed
CN-117586440-A Iodinated polyhydroxy polymer, preparation method and liquid embolic agent prepared from iodinated polyhydroxy polymer 苏州美创医疗科技有限公司 2024-02-23 CN claimed
CN-117586440-B Iodinated polyhydroxy polymer, preparation method and liquid embolic agent prepared from iodinated polyhydroxy polymer 苏州美创医疗科技有限公司 2024-04-09 CN disclosed