SCHEMBL22958586

SCHEMBL22958586

CCCCC1(CCCC)c2cc3c(cc2-c2cc4c(cc21)C(=O)/C(=N/O)C4)CC(=N)C3=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL22958579 0.93 CYP2C19 (0.41) ALDH1A1CYP1A2CYP2C19
SCHEMBL22958595 0.90 CYP2C19 (0.39) ALDH1A1CYP1A2CYP2C19
SCHEMBL22958572 0.84 — —
SCHEMBL22958628 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL22958624 0.83 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C19
SCHEMBL22958565 0.80 LMNA (0.38) ALDH1A1CYP1A2CYP2C19
SCHEMBL22958578 0.78 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2C19
SCHEMBL22958588 0.77 ALDH1A1 (0.35) ALDH1A1CYP2C19
SCHEMBL22958597 0.75 ALDH1A1 (0.34) ALDH1A1CYP2C19
SCHEMBL22958613 0.75 ALDH1A1 (0.34) ALDH1A1CYP2C19

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
WO-2021023144-A1 FLUORENOXIME ESTER COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 常州强力电子新材料股份有限公司 2021-02-11 — — WO disclosed
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