⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5672168 | 0.67 | — | — | |
| SCHEMBL791842 | 0.62 | CA2 (0.40) | — | |
| SCHEMBL4923805 | 0.59 | — | — | |
| SCHEMBL12483221 | 0.59 | — | — | |
| SCHEMBL17103290 | 0.59 | — | — | |
| SCHEMBL31051471 | 0.59 | — | — | |
| SCHEMBL8564518 | 0.58 | ALDH1A1 (0.31) | — | |
| Cyanide SCHEMBL16432354 | 0.57 | — | — | |
| SCHEMBL193743 | 0.56 | — | — | |
| SCHEMBL4310344 | 0.53 | — | — |
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 347 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023046133-A1 | DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 成都施贝康生物医药科技有限公司 | 2023-03-30 | — | — | WO | claimed |
| CN-113801097-A | Dihydropyrimidine compound, preparation method and application thereof | 成都施贝康生物医药科技有限公司 | 2021-12-17 | — | — | CN | claimed |
| EP-2702052-B1 | 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2017-10-18 | — | — | EP | claimed |
| EP-2375898-B1 | NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2015-09-16 | — | — | EP | claimed |
| US-9029399-B2 | 17α-hydroxylase/C17,20-lyase inhibitors | NOVARTIS AG (CH) | 2015-05-12 | — | — | US | claimed |
| US-20140228386-A1 | 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2014-08-14 | — | — | US | claimed |
| EP-2702052-A1 | 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS | Novartis AG (CH) | 2014-03-05 | — | — | EP | claimed |
| WO-2012149413-A1 | 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2012-11-01 | — | — | WO | claimed |
| US-8148537-B2 | Substituted acetophenones useful as PDE4 inhibitors | LEO PHARMA A/S (DK) | 2012-04-03 | — | — | US | claimed |
| EP-2125736-B1 | SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS | LEO PHARMA AS (DK) | 2011-03-30 | — | — | EP | claimed |
| EP-1513835-A1 | PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF | Sanofi-Aventis (FR) | 2005-03-16 | — | — | EP | claimed |
| WO-2003104225-A1 | PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI-SYNTHELABO (FR) | 2003-12-18 | — | — | WO | claimed |
| EP-0871625-B1 | PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR | PFIZER RES ANDDEVELOPMENT COMP (IE) | 2003-12-17 | — | — | EP | claimed |
| US-20030181720-A1 | Preparation of triazoles by organometallic addition to ketones and intermediates therefor | BUTTERS MICHAEL (GB) | 2003-09-25 | — | — | US | claimed |
| US-6586594-B1 | Reacting 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl) ethanone and 6-(1-bromoethyl)-4-chloro-5-fluoropyrimidine in the presence of zinc, iodine, lewis acids, aprotic solvents and optionally lead to form sterospecific fungicides | PFIZER, INC. | 2003-07-01 | — | — | US | claimed |
| EP-0944314-A1 | METHYL SUBSTITUTED FUNGICIDES AND ARTHROPODICIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-09-29 | — | — | EP | claimed |
| EP-0871625-A1 | PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR | Pfizer Research and Development Company, N.V./S.A. (IE) | 1998-10-21 | — | — | EP | claimed |
| WO-1998023156-A1 | METHYL SUBSTITUTED FUNGICIDES AND ARTHROPODICIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-06-04 | — | — | WO | claimed |
| WO-1997006160-A1 | PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR | PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) | 1997-02-20 | — | — | WO | claimed |
| US-3992535-A | ANTIINFLAMMATORY AGENTS, INHIBITORS OF PLATELET ADHESION AND AGGREGATION | BOEHRINGER INGELHEIM GMBH (DT) | 1976-11-16 | — | — | US | claimed |