⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7993944 | 0.74 | — | — | |
| SCHEMBL3825167 | 0.74 | FTO (0.42) | — | |
| SCHEMBL459802 | 0.72 | — | — | |
| SCHEMBL18551126 | 0.72 | — | — | |
| SCHEMBL14297422 | 0.72 | — | — | |
| SCHEMBL23925047 | 0.72 | — | — | |
| SCHEMBL3165824 | 0.72 | — | — | |
| SCHEMBL11747876 | 0.72 | — | — | |
| SCHEMBL3823825 | 0.72 | — | — | |
| SCHEMBL504264 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200181117-A1 | SUBSTITUTED 3-HETEROARYLOXY-1H-PYRAZOLES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2020-06-11 | — | — | US | disclosed |
| EP-3029030-B1 | TETRAZOLINONE COMPOUND, AND USE THEREFOR | SUMITOMO CHEMICAL CO (JP) | 2019-09-04 | — | — | EP | disclosed |
| US-9512090-B2 | Tetrazolinone compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2016-12-06 | — | — | US | disclosed |
| US-20160159755-A1 | TETRAZOLINONE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2016-06-09 | — | — | US | disclosed |
| EP-3029030-A1 | TETRAZOLINONE COMPOUND, AND USE THEREFOR | Sumitomo Chemical Company, Limited (JP) | 2016-06-08 | — | — | EP | disclosed |
| US-20090082394-A1 | Tetrahydroisoquinoline Derivatives to Enhance Memory Function | ACTELION PHARMACEUTICALS, LTD. (CH) | 2009-03-26 | — | — | US | disclosed |
| EP-1998774-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION | Actelion Pharmaceuticals Ltd. (CH) | 2008-12-10 | — | — | EP | disclosed |
| WO-2007105177-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION | ACTELION PHARMACEUTICALS LTD (CH) | 2007-09-20 | — | — | WO | disclosed |
| US-5036068-A | Cardiovascular disorders | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-07-30 | — | — | US | disclosed |
| EP-0371312-A1 | Benzoxazine derivatives | MERCK PATENT GmbH (DE) | 1990-06-06 | — | — | EP | disclosed |