SCHEMBL9517181

SCHEMBL9517181

CC(C)OC(=O)C(Cl)C(=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
TSHR P16473 2/20 0.39

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
SCHEMBL9517211 0.82 TSHR (0.39) HCAR2TSHR
SCHEMBL1445320 0.79 MAPT (0.40)
SCHEMBL10808355 0.76 TSHR (0.48) HCAR2TSHR
SCHEMBL1763670 0.73 ALDH1A1 (0.40) HCAR2
SCHEMBL882159 0.72
SCHEMBL4251304 0.72 TSHR (0.48) HCAR2TSHR
SCHEMBL3678091 0.72
SCHEMBL1165180 0.72
SCHEMBL27771045 0.72
SCHEMBL27370380 0.70

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-0274379-B1 PROCESS FOR PREPARING PYRIDINE-2,3-DICARBOXYLIC ACID COMPOUNDS SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-30 EP disclosed
US-4973695-A FROM UNSATURATED ALDEHYDE OR KETONE WITH OXODIESTER SUGAI CHEMICAL IND. CO., LTD. (JP) 1990-11-27 US disclosed