SCHEMBL29102001

SCHEMBL29102001

O=C(O)/C=C(\C(=O)O)C1(/C(=C/C(=O)O)C(=O)O)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
TSHR P16473 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
SCHEMBL5511894 0.76 FFAR3 (0.36)
SCHEMBL7203785 0.69
SCHEMBL20530245 0.69 CYP1A2 (0.31)
SCHEMBL20530256 0.69 CYP1A2 (0.31)
SCHEMBL440358 0.64 CYP2C19 (0.42) TSHR
SCHEMBL20679048 0.62 CYP2C19 (0.46) TSHR
SCHEMBL21295011 0.62 CYP2C19 (0.40) TSHR
SCHEMBL517831 0.62 CYP2C19 (0.46) TSHR
SCHEMBL518477 0.62 CYP2C19 (0.46) TSHR
Bromide SCHEMBL16086053 0.62 CYP2C19 (0.40) TSHR

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
CN-114716675-B Adjustable water-soluble battery binder and preparation method thereof 江苏环峰电工材料有限公司 2023-10-27 CN disclosed