SCHEMBL10906648

SCHEMBL10906648

CC(C)C(C)(C)C(C)(C)O[O]

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7629951 0.67
SCHEMBL20618378 0.67 ALDH1A1 (0.50) ALDH1A1
SCHEMBL22922370 0.65 ALDH1A1 (0.32) ALDH1A1
SCHEMBL23676016 0.64 CHRNB2 (0.33) ALDH1A1
SCHEMBL598984 0.60 ALDH1A1 (0.44) ALDH1A1
SCHEMBL180050 0.58
SCHEMBL12927439 0.58 ALDH1A1 (0.36) ALDH1A1
SCHEMBL19061598 0.58 ALDH1A1 (0.59) ALDH1A1
SCHEMBL5138489 0.56 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9821377 0.56 TSHR (0.33) ALDH1A1

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-4612362-A Thermotropic polyester-carbonates containing 2,2-dimethyl-1,3-propanediol ALLIED CORPORATION (US) 1986-09-16 US disclosed