SCHEMBL7940168

SCHEMBL7940168

CN1C(=O)c2c(F)cc(F)c(F)c2C1=O

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA4 P22748 2/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CASP3 P42574 2/20 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
SCHEMBL8730366 0.83 CA1 (0.37) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL8846154 0.81 MEN1 (0.31) CA1CA2CA4CA12CA7
SCHEMBL27322335 0.77 CASP3 (0.38) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL3621290 0.76 TNF (0.34) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL9484888 0.75 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL17303439 0.75 MGAM (0.35) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL12869404 0.72 MEN1 (0.37) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL12869401 0.71 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL8846028 0.71 HSPA1A (0.45) ALDH1A1POLBHTTSMN1; SMN2MAPT
SCHEMBL12869403 0.71 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569620-B1 Method of making 2,4,5-trihalobenzoic acid OCCIDENTAL CHEM CO (US) 1998-06-24 EP claimed
EP-0525066-B1 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID OCCIDENTAL CHEM CO (US) 1997-06-18 EP claimed
US-5596104-A Preparation of 3,4,6-trifluorophthalic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1997-01-21 US claimed
EP-0569620-A1 Method of making 2,4,5-trihalobenzoic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1993-11-18 EP claimed
US-5196590-A Heating a trihalophthalimide compound, water, mineral acid OCCIDENTAL CHEMICAL CORPORATION (US) 1993-03-23 US claimed
EP-0525066-A4 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID 1993-03-17 EP claimed
EP-0525066-A1 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID. OCCIDENTAL CHEM CO (US) 1993-02-03 EP claimed
WO-1991016308-A1 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID OCCIDENTAL CHEMICAL CORPORATION (US) 1991-10-31 WO claimed
US-6191307-B1 Process for making benzoic acids ALBEMARLE CORPORATION 2001-02-20 US disclosed
EP-0569620-B1 Method of making 2,4,5-trihalobenzoic acid OCCIDENTAL CHEM CO (US) 1998-06-24 EP disclosed
EP-0525066-B1 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID OCCIDENTAL CHEM CO (US) 1997-06-18 EP disclosed
US-5596104-A Preparation of 3,4,6-trifluorophthalic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1997-01-21 US disclosed
US-5336806-A Forming salt with hydroxide, precipitating, filtering, washing, dissolving, passing over activated carbon, and adding strong mineral acid OCCIDENTAL CHEMICAL CORPORATION (US) 1994-08-09 US disclosed
EP-0569620-A1 Method of making 2,4,5-trihalobenzoic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1993-11-18 EP disclosed
US-5196590-A Heating a trihalophthalimide compound, water, mineral acid OCCIDENTAL CHEMICAL CORPORATION (US) 1993-03-23 US disclosed
EP-0525066-A4 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID 1993-03-17 EP disclosed
EP-0525066-A1 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID. OCCIDENTAL CHEM CO (US) 1993-02-03 EP disclosed
WO-1991016308-A1 PREPARATION OF 3,4,6-TRIFLUOROPHTHALIC ACID OCCIDENTAL CHEMICAL CORPORATION (US) 1991-10-31 WO disclosed