SCHEMBL75840

SCHEMBL75840

C=C(C)C(=O)OC12CC3CC(C1)C(CO)C(C3)C2

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NAAA Q02083 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
SCHEMBL6334836 0.88 CYP19A1 (0.31) CYP19A1ALDH1A1NAAA
SCHEMBL19919375 0.88 ALDH1A1 (0.34) CYP19A1ALDH1A1NAAA
SCHEMBL18973456 0.88 ALDH1A1 (0.34) CYP19A1ALDH1A1NAAA
SCHEMBL28138951 0.84 NAAA (0.39) CYP19A1ALDH1A1NAAA
SCHEMBL75841 0.83 NAAA (0.32) CYP19A1ALDH1A1NAAA
Ethylene Glycol SCHEMBL28293687 0.83 NPSR1 (0.39) CYP19A1ALDH1A1NAAA
SCHEMBL45476 0.82 NAAA (0.40) CYP19A1ALDH1A1NAAA
SCHEMBL17738165 0.81 CYP19A1 (0.32) CYP19A1ALDH1A1
SCHEMBL12892480 0.81 GRM5 (0.32) NAAA
SCHEMBL3281463 0.79 ALDH1A1 (0.41) CYP19A1ALDH1A1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129100-B2 Double patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8129100-B2 Double patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20090253084-A1 DOUBLE PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-10-08 US disclosed
US-20090253084-A1 DOUBLE PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-10-08 US disclosed