⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7108066 | 0.84 | OR51E2 (0.33) | — | |
| SCHEMBL14265339 | 0.81 | KDM4E (0.39) | — | |
| SCHEMBL12584010 | 0.78 | NAAA (0.39) | — | |
| SCHEMBL606948 | 0.77 | — | — | |
| SCHEMBL13209882 | 0.77 | MGAM (0.39) | — | |
| SCHEMBL7799117 | 0.77 | — | — | |
| SCHEMBL29039515 | 0.77 | ALDH1A1 (0.43) | — | |
| SCHEMBL10189844 | 0.74 | — | — | |
| SCHEMBL29039512 | 0.74 | — | — | |
| SCHEMBL12155314 | 0.74 | KMT2A (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117447674-B | Polyurethane elastomer composition, polyurethane elastomer and preparation method of polyurethane elastomer | 万华化学集团股份有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-117447674-A | Polyurethane elastomer composition, polyurethane elastomer and preparation method of polyurethane elastomer | 万华化学集团股份有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-116462818-A | Color-change-resistant antibacterial thermoplastic polyurethane elastomer, preparation method and application thereof | 万华化学集团股份有限公司 | 2023-07-21 | — | — | CN | disclosed |
| US-8552176-B2 | Glycosylated chlorambucil analogs and uses thereof | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2013-10-08 | — | — | US | disclosed |
| US-8198458-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-12 | — | — | US | disclosed |
| US-20120094946-A1 | GLYCOSYLATED CHLORAMBUCIL ANALOGS AND USES THEREOF | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2012-04-19 | — | — | US | disclosed |
| US-7517998-B2 | Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus | BOEHRINGER INGELHEIM INTERNATIONAL GMBH | 2009-04-14 | — | — | US | disclosed |