⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15063998 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL4822692 | 0.82 | POLB (0.33) | — | |
| SCHEMBL21268276 | 0.79 | NPC1 (0.37) | — | |
| SCHEMBL455980 | 0.73 | — | — | |
| SCHEMBL192917 | 0.73 | TP53 (0.36) | — | |
| SCHEMBL27807449 | 0.73 | — | — | |
| SCHEMBL15063765 | 0.72 | GABRG2 (0.39) | — | |
| SCHEMBL456581 | 0.71 | — | — | |
| SCHEMBL359149 | 0.71 | — | — | |
| SCHEMBL28223685 | 0.71 | TP53 (0.35) | — |
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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014002109-A1 | SUBSTITUTED TETRAZOLE COMPOUNDS AND PROCESS THEREOF | RALLIS INDIA LIMITED (IN) | 2014-01-03 | — | — | WO | claimed |
| EP-2841429-B1 | TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2020-10-21 | — | — | EP | disclosed |
| EP-2900645-B1 | HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2019-08-21 | — | — | EP | disclosed |
| EP-3239137-B1 | (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION | DU PONT (US) | 2019-02-13 | — | — | EP | disclosed |
| US-10077254-B2 | Tetrazolinone compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2018-09-18 | — | — | US | disclosed |
| US-9920030-B2 | Fungicidal azocyclic amides | E I DU PONT DE NEMOURS AND COMPANY (US) | 2018-03-20 | — | — | US | disclosed |
| EP-3045450-B1 | INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS | SUMITOMO CHEMICAL CO (JP) | 2018-02-07 | — | — | EP | disclosed |
| EP-3059233-B1 | TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME | SUMITOMO CHEMICAL CO (JP) | 2017-12-20 | — | — | EP | disclosed |
| EP-3239137-A1 | (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION | E. I. du Pont de Nemours and Company (US) | 2017-11-01 | — | — | EP | disclosed |
| EP-2049111-B1 | 1-(acetyl)-piperidine and 1-(acetyl)-piperazine derivatives as fungicides for use in plant protection | DU PONT (US) | 2017-05-24 | — | — | EP | disclosed |
| CN-1316989-A | Optically active substituted N-aryl-o-aryloxyalkyl-carbamates | BAYER AG (DE) | 2001-10-10 | — | — | CN | disclosed |
| EP-1115700-A1 | OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES | BAYER AG (DE) | 2001-07-18 | — | — | EP | disclosed |
| US-6184245-B1 | Cyclic ketone derivatives and their medical applications | TORAY INDUSTRIES INC. (JP) | 2001-02-06 | — | — | US | disclosed |
| US-6100292-A | Ketone derivatives and their medical applications | TORAY INDUSTRIES, INC. (JP) | 2000-08-08 | — | — | US | disclosed |
| WO-2000017157-A1 | OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-03-30 | — | — | WO | disclosed |
| EP-0980867-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2000-02-23 | — | — | EP | disclosed |
| CN-1242770-A | Cyclic ketone derivative and pharmaceutical use thereof | TORAY INDUSTRIES (JP) | 2000-01-26 | — | — | CN | disclosed |
| CN-1242771-A | Ketone derivatives and medicinal use thereof | TORAY INDUSTRIES (JP) | 2000-01-26 | — | — | CN | disclosed |
| EP-0962456-A1 | CYCLIC KETONE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 1999-12-08 | — | — | EP | disclosed |
| US-4837356-A | Process for the preparation of alkyl 4-ketoalkanoates | SHELL OIL COMPANY (US) | 1989-06-06 | — | — | US | disclosed |