SCHEMBL5872622

SCHEMBL5872622

CC(C)C(C)(O)/C=C/C(C)(O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5872625 1.00 ALDH1A1 (0.41) ALDH1A1CYP2C19
SCHEMBL8915277 0.80
SCHEMBL271544 0.76
SCHEMBL1782532 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1782534 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8603971 0.74
SCHEMBL18815290 0.69 ALDH1A1 (0.33) ALDH1A1CYP2C19
SCHEMBL18815288 0.69 ALDH1A1 (0.33) ALDH1A1CYP2C19
SCHEMBL48154 0.68
SCHEMBL22975 0.68

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
US-7018963-B2 Water-soluble surfactant composition NISSIN CHEMICAL INDUSTRY CO., LTD. (JP) 2006-03-28 US disclosed
US-20040242447-A1 Water-soluble surfactant composition NISSIN CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-02 US disclosed