⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15927296 | 0.95 | — | — | |
| SCHEMBL22813394 | 0.91 | — | — | |
| SCHEMBL26519682 | 0.91 | — | — | |
| SCHEMBL16659517 | 0.84 | — | — | |
| SCHEMBL16659516 | 0.83 | — | — | |
| SCHEMBL16659522 | 0.79 | — | — | |
| SCHEMBL16659520 | 0.76 | — | — | |
| SCHEMBL2786155 | 0.74 | — | — | |
| SCHEMBL23083342 | 0.74 | SLC6A2 (0.38) | — | |
| SCHEMBL23083352 | 0.74 | SLC6A2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021154661-A1 | 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-05 | — | — | WO | disclosed |
| EP-3279187-B1 | 9-MEMBERED FUSED RING DERIVATIVE | SHIONOGI & CO (JP) | 2021-06-02 | — | — | EP | disclosed |
| US-20170107234-A1 | TRICYCLIC HETEROCYCLE DERIVATIVES HAVING HIV REPLICATION INHIBITORY EFFECT | SHIONOGI & CO., LTD. (JP) | 2017-04-20 | — | — | US | disclosed |
| US-20150361093-A1 | HIV REPLICATION INHIBITOR | SHIONOGI & CO., LTD. (JP) | 2015-12-17 | — | — | US | disclosed |