SCHEMBL9251066

SCHEMBL9251066

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

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1255436 0.75
SCHEMBL3498234 0.69
SCHEMBL271740 0.67
SCHEMBL5010520 0.67
Ammonia Solution, Strong SCHEMBL3498578 0.65 TSHR (0.47) ALDH1A1TSHR
Water SCHEMBL11633420 0.65 TSHR (0.47) ALDH1A1TSHR
SCHEMBL860611 0.65
SCHEMBL28446602 0.65 TSHR (0.47) ALDH1A1TSHR
SCHEMBL27655275 0.65 TSHR (0.47) ALDH1A1TSHR
SCHEMBL2390662 0.65 TSHR (0.47) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58198480-A None JP disclosed
EP-3212642-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyT Janssen Pharmaceutica NV (BE) 2017-09-06 EP disclosed
WO-2016069978-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORγT JANSSEN PHARMACEUTICA NV (BE) 2016-05-06 WO disclosed
EP-0408255-B1 Thermoplastic resin composition SUMITOMO CHEMICAL CO (JP) 1995-05-17 EP disclosed
US-5284681-A Bringing into contact with water, drying in air SUMITOMO CHEMICAL CO., LTD. (JP) 1994-02-08 US disclosed
US-5182151-A Polyphenylene ether, propylene graft polymer, rubber, molding material SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-01-26 US disclosed
EP-0408255-A1 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-16 EP disclosed
JP-S58198480-A PREPARATION OF KETOPANTOLACTONE SEITETSU KAGAKU CO LTD 1983-11-18 JP disclosed