SCHEMBL22945744

SCHEMBL22945744

Cc1ccc(C)c(C(=O)Oc2ccc(C(C)(CCC(=O)OC(C)(C)C3CCNCC3)c3ccc(OC(=O)c4c(C)ccc(C)c4C)cc3)cc2)c1C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL22279215 0.86 — —
SCHEMBL22277835 0.85 — —
SCHEMBL22277839 0.84 ALDH1A1 (0.31) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL25142203 0.81 ALDH1A1 (0.32) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL23870862 0.80 ALDH1A1 (0.32) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL26412939 0.80 ESR2 (0.50) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL24179410 0.79 — —
SCHEMBL24179412 0.78 — —
SCHEMBL25142149 0.78 ELANE (0.33) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL23867035 0.77 ELANE (0.33) —

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
US-20210033970-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-02-04 — — US disclosed
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