SCHEMBL9156417

SCHEMBL9156417

O=C(O)C(F)=C(F)C(F)=C(F)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GABRR1 P24046 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9156418 1.00 LDHA (0.33) LDHALDHBCA1CA2CA9
SCHEMBL988834 0.95 CA1 (0.36) LDHALDHBCA1CA2CA9
SCHEMBL14690127 0.95 CA1 (0.36) LDHALDHBCA1CA2CA9
SCHEMBL988835 0.95 CA1 (0.36) LDHALDHBCA1CA2CA9
Boric Acid SCHEMBL31404443 0.84 LMNA (0.31) TSHR
Boric Acid SCHEMBL31404421 0.84 LMNA (0.31) TSHR
SCHEMBL132786 0.78
SCHEMBL11129009 0.78 LDHA (0.50) LDHALDHBGABRR1ALDH1A1
SCHEMBL15546673 0.75
SCHEMBL15547842 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557272-B1 PROCESS FOR THE PREPARATION OF DIFLUOROMALEIC ANHYDRIDE AND INTERMEDIATE COMPOUNDS PRODUCED THEREBY DU PONT (US) 1995-03-08 EP disclosed
EP-0557272-A1 PROCESS FOR THE PREPARATION OF DIFLUOROMALEIC ANHYDRIDE AND INTERMEDIATE COMPOUNDS PRODUCED THEREBY. DU PONT (US) 1993-09-01 EP disclosed
US-5235069-A Process for the preparation of difluoromaleic anhydride and intermediate compounds produced thereby E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-10 US disclosed
WO-1992008710-A1 PROCESS FOR THE PREPARATION OF DIFLUOROMALEIC ANHYDRIDE AND INTERMEDIATE COMPOUNDS PRODUCED THEREBY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-29 WO disclosed
US-5112993-A Process for the preparation of difluoromaleic anhydride E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-12 US disclosed