SCHEMBL8417652

SCHEMBL8417652

CC(C)CCOC(C)OC(C)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8417645 0.88 LMNA (0.33) CA12CA1CA2CA9
SCHEMBL1983147 0.79
SCHEMBL3269649 0.79 ALDH1A1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL1277992 0.78 HSD17B10 (0.41)
SCHEMBL11790349 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL27350439 0.77 CA12 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL2119475 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1804524 0.76
SCHEMBL8420874 0.75
SCHEMBL11775202 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686171-B1 ETHER COSOLVENTS FOR RESIN FORMULATIONS BP CHEM INT LTD (GB) 1999-09-22 EP claimed
CN-107109201-B Polymer composition 雪佛龙美国公司 2020-12-08 CN disclosed