SCHEMBL6554740

SCHEMBL6554740

C=C(C(=O)OC)C(C)(C)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.48
ALDH1A1 P00352 1/20 0.44
ELANE P08246 1/20 0.33
TET2 Q6N021 1/20 0.32
KCNN4 O15554 1/20 0.30

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
SCHEMBL5460749 0.81 DGAT1 (0.48) DGAT1ALDH1A1ELANETET2KCNN4
SCHEMBL1899520 0.77 ALDH1A1 (0.50) DGAT1ALDH1A1TET2
SCHEMBL808799 0.76 DGAT1 (0.74) DGAT1ALDH1A1ELANETET2KCNN4
SCHEMBL9745781 0.75 ALDH1A1 (0.48) DGAT1ALDH1A1TET2
SCHEMBL321582 0.75 DGAT1 (0.52) DGAT1ALDH1A1ELANETET2KCNN4
SCHEMBL18827813 0.75 DGAT1 (0.52) DGAT1ALDH1A1ELANEKCNN4
SCHEMBL9745788 0.75 ALDH1A1 (0.48) DGAT1ALDH1A1TET2
SCHEMBL16881862 0.75 ALDH1A1 (0.48) DGAT1ALDH1A1TET2
SCHEMBL27163281 0.75 DGAT1 (0.52) DGAT1ALDH1A1ELANEKCNN4
SCHEMBL24415836 0.74 DGAT1 (0.42) DGAT1ALDH1A1

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
EP-1070043-B1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LTD (GB) 2004-02-18 EP disclosed
EP-1042270-B1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LTD (GB) 2003-04-09 EP disclosed
US-6414187-B1 PREPARING ENANTIOMERICALLY ENRICHED CARBOXYLIC ACID DERIVATIVE BY FORMING SALT OF DEHYDRO PRECURSOR ACID WITH STOICHIOMETRIC AMOUNT OF BASE AND ASYMMETRICALLY HYDROGENATING IN PRESENCE OF COMPLEX COMPRISING RHODIUM AND CHIRAL PHOSPHINE LIGAND CHIROTECH TECHNOLOGY, LTD. (GB) 2002-07-02 US disclosed
US-6207853-B1 SUCCINIC ACID DERIVATIVE CHIROTECH TECHNOLOGY, INC. (GB) 2001-03-27 US disclosed
EP-1070043-A1 ASYMMETRIC HYDROGENATION Chirotech Technology Limited (GB) 2001-01-24 EP disclosed
EP-1042270-A1 ASYMMETRIC HYDROGENATION Chirotech Technology Limited (GB) 2000-10-11 EP disclosed
WO-1999052852-A1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LIMITED (GB) 1999-10-21 WO disclosed
WO-1999031041-A1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LIMITED (GB) 1999-06-24 WO disclosed