⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL245347 | 0.74 | — | — | |
| SCHEMBL6829982 | 0.72 | — | — | |
| SCHEMBL1996998 | 0.72 | — | — | |
| SCHEMBL9314142 | 0.72 | — | — | |
| SCHEMBL28417499 | 0.72 | — | — | |
| SCHEMBL2252954 | 0.67 | — | — | |
| SCHEMBL10754742 | 0.67 | — | — | |
| SCHEMBL12475284 | 0.67 | — | — | |
| SCHEMBL11575287 | 0.65 | — | — | |
| SCHEMBL14849271 | 0.65 | — | — |
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-8993776-B2 | Heterocyclic alkanol derivatives | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-03-31 | — | — | US | disclosed |
| US-20130197236-A1 | Novel Heterocyclic Alkanol Derivatives | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-08-01 | — | — | US | disclosed |
| CN-101490052-B | Therapeutic compounds and their use in cancer | MYRIAD GENETICS INC | 2012-08-08 | — | — | CN | disclosed |
| CN-102015641-A | Heterocyclic compound | TAKEDA PHARMACEUTICAL | 2011-04-13 | — | — | CN | disclosed |
| CN-101490052-A | Therapeutic compounds and their use in cancer | MYRIAD GENETICS INC (US) | 2009-07-22 | — | — | CN | disclosed |
| EP-1483249-A1 | PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES | Sumitomo Chemical Company, Limited (JP) | 2004-12-08 | — | — | EP | disclosed |
| WO-2004077950-A1 | SUBSTITUTED TRIAZOLECARBOXAMIDES | BAYER CROPSCIENCE AG (DE) | 2004-09-16 | — | — | WO | disclosed |
| CN-1526704-A | Substituted triazolformamide compound | 拜尔农作物科学股份公司 | 2004-09-08 | — | — | CN | disclosed |
| WO-2003076415-A1 | PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-09-18 | — | — | WO | disclosed |
| EP-0016988-B1 | THIXOTROPIC SILICONE PASTES AND THEIR USE FOR DENTAL AND MUCOUS IMPRESSIONS | BAYER AG (DE) | 1982-11-24 | — | — | EP | disclosed |