SCHEMBL20124907

SCHEMBL20124907

C=C/C=C(/c1nccc2occc12)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.35
▸ HTR2C P28335 1/20 0.32
▸ NTRK1 P04629 1/20 0.32

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
SCHEMBL18903834 0.81 HTR2C (0.34) TRPA1HTR2C
SCHEMBL18911162 0.70 HTR2C (0.37) TRPA1HTR2CNTRK1
SCHEMBL12985283 0.66 KDM4E (0.43) TRPA1HTR2CNTRK1
SCHEMBL18911271 0.66 TRPA1 (0.39) TRPA1HTR2CNTRK1
SCHEMBL21134630 0.66 ALDH1A1 (0.36) TRPA1HTR2C
SCHEMBL19390678 0.66 TRPA1 (0.40) TRPA1HTR2C
SCHEMBL31426140 0.65 L3MBTL1 (0.44) TRPA1HTR2CNTRK1
SCHEMBL18239084 0.64 HTR2C (0.40) TRPA1HTR2C
SCHEMBL9111978 0.64 FADS1 (0.38) TRPA1HTR2C
SCHEMBL20830065 0.63 ALDH1A1 (0.44) —

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
EP-3173418-B1 ORGANIC METAL COMPOUND, ORGANIC LIGHT-EMITTING DEVICES EMPLOYING THE SAME IND TECH RES INST (TW) 2018-05-09 — — EP disclosed
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