⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL853177 | 0.86 | CCR5 (0.33) | — | |
| SCHEMBL24964881 | 0.85 | CCR5 (0.32) | — | |
| SCHEMBL17080879 | 0.82 | PNMT (0.32) | — | |
| SCHEMBL14724902 | 0.82 | — | — | |
| SCHEMBL8907910 | 0.78 | — | — | |
| SCHEMBL2266871 | 0.75 | — | — | |
| SCHEMBL418167 | 0.75 | — | — | |
| SCHEMBL14096697 | 0.75 | — | — | |
| SCHEMBL14741118 | 0.75 | — | — | |
| SCHEMBL416052 | 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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6667406-B1 | Using facile intramolecular Diels Alder reaction | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-12-23 | — | — | US | claimed |
| US-6018054-A | INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-01-25 | — | — | US | claimed |
| EP-0588166-B1 | Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives | BAYER AG (DE) | 1996-06-05 | — | — | EP | claimed |
| EP-0588166-A2 | Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives | BAYER AG (DE) | 1994-03-23 | — | — | EP | claimed |
| EP-0056144-A1 | Carboxylic acid derivatives, their preparation and use as pharmaceuticals | Dr. Karl Thomae GmbH (DE) | 1982-07-21 | — | — | EP | claimed |
| EP-0041256-A1 | Hexahydroisoindol derivatives, process for producing said compounds and herbicides containing said compounds | Takeda Chemical Industries, Ltd. (JP) | 1981-12-09 | — | — | EP | claimed |
| EP-0040849-A1 | Hexahydroisoindole derivatives, process for producing said compounds and herbicides containing said compounds | Takeda Chemical Industries, Ltd. (JP) | 1981-12-02 | — | — | EP | claimed |
| JP-58174362-A | — | — | None | — | — | JP | disclosed |
| JP-56166173-A | — | — | None | — | — | JP | disclosed |
| US-9844516-B2 | Sigma ligands for use in the prevention and/or treatment of post-operative pain | Laboratorios De Dr. Esteve (ES) | 2017-12-19 | — | — | US | disclosed |
| US-9789115-B2 | Use of sigma ligands in opioid-induced hyperalgesia | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-10-17 | — | — | US | disclosed |
| US-9782483-B2 | Sigma ligands for the prevention and/or treatment of emesis induced by chemotherapy or radiotherapy | LABORATORIES DEL DR. ESTEVE, S.A. (ES) | 2017-10-10 | — | — | US | disclosed |
| US-20170158680-A1 | HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-06-08 | — | — | US | disclosed |
| JP-S56166173-A | HEXAHYDROISOINDOLE DERIVATIVE, ITS PREPARATION, AND HERBICIDE | TAKEDA CHEM IND LTD | 1981-12-21 | — | — | JP | disclosed |
| EP-0041256-A1 | Hexahydroisoindol derivatives, process for producing said compounds and herbicides containing said compounds | Takeda Chemical Industries, Ltd. (JP) | 1981-12-09 | — | — | EP | disclosed |
| EP-0041256-A1 | Hexahydroisoindol derivatives, process for producing said compounds and herbicides containing said compounds | Takeda Chemical Industries, Ltd. (JP) | 1981-12-09 | — | — | EP | disclosed |
| EP-0040849-A1 | Hexahydroisoindole derivatives, process for producing said compounds and herbicides containing said compounds | Takeda Chemical Industries, Ltd. (JP) | 1981-12-02 | — | — | EP | disclosed |
| EP-0040849-A1 | Hexahydroisoindole derivatives, process for producing said compounds and herbicides containing said compounds | Takeda Chemical Industries, Ltd. (JP) | 1981-12-02 | — | — | EP | disclosed |
| EP-0040849-A1 | Hexahydroisoindole derivatives, process for producing said compounds and herbicides containing said compounds | Takeda Chemical Industries, Ltd. (JP) | 1981-12-02 | — | — | EP | disclosed |
| US-3936471-A | HYPOGLYCEMIC AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1976-02-03 | — | — | US | disclosed |