⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21451646 | 1.00 | — | — | |
| SCHEMBL25585667 | 0.84 | GAA (0.30) | — | |
| SCHEMBL20215914 | 0.81 | — | — | |
| SCHEMBL21451663 | 0.81 | OPRM1 (0.32) | — | |
| SCHEMBL22778775 | 0.79 | OPRM1 (0.40) | — | |
| SCHEMBL24090558 | 0.79 | HRH3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL5947985 | 0.77 | — | — | |
| SCHEMBL22778660 | 0.77 | — | — | |
| SCHEMBL22778703 | 0.77 | — | — | |
| SCHEMBL15764116 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021116872-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING CABOTEGRAVIR | VIIV HEALTHCARE COMPANY (US) | 2021-06-17 | — | — | WO | disclosed |
| EP-3831839-A2 | C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS | ViiV Healthcare UK (No.5) Limited (GB) | 2021-06-09 | — | — | EP | disclosed |
| US-20170037059-A1 | GYRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-02-09 | — | — | US | disclosed |