SCHEMBL4625277

SCHEMBL4625277

COC(=O)C(C#N)=C(O)C(F)(F)F.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.37
ACHE P22303 4/20 0.37
CES1 P23141 4/20 0.37
IDO1 P14902 1/20 0.36
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4625272 1.00 CES2 (0.37) CES2ACHECES1IDO1DHODH
SCHEMBL7715361 1.00 CES2 (0.37) CES2ACHECES1IDO1DHODH
SCHEMBL18740114 0.98 CES2 (0.38) CES2ACHECES1IDO1DHODH
SCHEMBL14390213 0.98 CES2 (0.38) CES2ACHECES1IDO1DHODH
SCHEMBL18740110 0.98 CES2 (0.38) CES2ACHECES1IDO1DHODH
SCHEMBL2592388 0.80 ALDH1A1 (0.46) CES2ACHECES1ALDH1A1MAPT
SCHEMBL4624472 0.80 HPGD (0.40) ALDH1A1
SCHEMBL2592394 0.80 ALDH1A1 (0.46) CES2ACHECES1ALDH1A1MAPT
SCHEMBL4624468 0.80 HPGD (0.40) ALDH1A1
SCHEMBL18655710 0.78 IDO1 (0.37) IDO1DHODHALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067121-B1 5-Aminopyrazole-4-carboxylate derivative and process for preparing the same MITSUI CHEMICALS INC (JP) 2008-05-28 EP disclosed
US-6372774-B1 THESE COMPOUNDS POSSESS ARTHROPODICIDAL, PLANT NEMATOCIDAL, ANTHELMINTIC AND ANTI-PROTOZOAL PROPERTIES RHONE-POULENC AGRICULTURE LTD. (GB) 2002-04-16 US disclosed
US-6235911-B1 5-aminopyrazole-4-carboxylate derivative and process for preparing the same MITSUI CHEMICALS, INC. (JP) 2001-05-22 US disclosed
EP-1067121-A2 5-Aminopyrazole-4-carboxylate derivative and process for preparing the same Mitsui Chemicals, Inc. (JP) 2001-01-10 EP disclosed
US-5916618-A PESTICIDE FOR MEDICATED FEEDSTUFF, DIETARY CONCENTRATE OR SUPPLEMENT RHONE-POULENC AGRICULTURE LTD. (GB) 1999-06-29 US disclosed
US-5714191-A PESTICIDES USED IN MEDICATED FEEDSTUFF, MINERAL SALT LICK OR EDIBLE BAIT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-02-03 US disclosed
US-5608077-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS, ANTIPROTOZOA AGENTS RHONE-POULENC AGRICULTURE LTD. (GB) 1997-03-04 US disclosed
US-5547974-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS RHONE-POULENC AGRICULTURE LTD. (GB) 1996-08-20 US disclosed
EP-0579280-A1 Pesticidal method using N-phenylpyrazoles RHONE-POULENC AGROCHIMIE (FR) 1994-01-19 EP disclosed
US-5232940-A Controlling insects, plant nematodes, helminths, protozoa BASF AGRO B.V., ARNHEM (NL), WADENSWIL-BRANCH (CH) 1993-08-03 US disclosed
EP-0234119-A1 Pesticidal method using N-phenylpyrazoles RHONE-POULENC AGROCHIMIE (FR) 1987-09-02 EP disclosed
WO-1987003781-A1 PESTICIDAL METHOD USING N-PHENYLPYRAZOLES MAY & BAKER LIMITED (GB) 1987-07-02 WO disclosed