SCHEMBL775162

SCHEMBL775162

C=C(C)C(=O)OCC(=O)N1C(=O)C2CC3CC(O)CC3CC21

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.34
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL774853 0.91 ALDH1A1 (0.34) F2ALDH1A1
SCHEMBL775168 0.90 F2 (0.36) F2ALDH1A1
SCHEMBL775415 0.88 F2 (0.33) F2ALDH1A1
SCHEMBL775279 0.88 F2 (0.34) F2ALDH1A1
SCHEMBL775161 0.83 F2 (0.34) F2ALDH1A1
SCHEMBL775401 0.82 ALDH1A1 (0.33) F2ALDH1A1
SCHEMBL9915987 0.78 HTT (0.36) F2ALDH1A1
SCHEMBL774995 0.78 ALDH1A1 (0.36) F2ALDH1A1
SCHEMBL9915991 0.77 HTT (0.35) F2ALDH1A1
SCHEMBL9915990 0.77 HTT (0.35) F2ALDH1A1

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-20120070778-A1 RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-22 US disclosed