⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2212439 | 0.75 | — | — | |
| SCHEMBL29354445 | 0.35 | — | — | |
| SCHEMBL2005176 | 0.35 | — | — | |
| SCHEMBL29889134 | 0.35 | — | — | |
| SCHEMBL16859 | 0.35 | — | — | |
| SCHEMBL6559802 | 0.35 | — | — | |
| SCHEMBL30254807 | 0.35 | — | — | |
| SCHEMBL5483305 | 0.35 | ALDH1A1 (0.33) | — | |
| Arsenic SCHEMBL16671755 | 0.35 | — | — | |
| SCHEMBL27740041 | 0.35 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117069691-A | Non-fullerene acceptor material, preparation method and application thereof | 中国科学院上海有机化学研究所 | 2023-11-17 | — | — | CN | disclosed |
| EP-2417140-B1 | INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INT (DE) | 2014-11-26 | — | — | EP | disclosed |
| US-8349839-B2 | Inhibitors of HIV replication | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-01-08 | — | — | US | disclosed |
| US-20100261714-A1 | INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-14 | — | — | US | disclosed |