⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL28030861 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL28914391 | 0.72 | — | — | |
| SCHEMBL3643462 | 0.70 | — | — | |
| SCHEMBL2534570 | 0.67 | — | — | |
| SCHEMBL2058444 | 0.67 | — | — | |
| SCHEMBL4827209 | 0.67 | — | — | |
| SCHEMBL4685599 | 0.67 | — | — | |
| SCHEMBL15932248 | 0.67 | MEN1 (0.54) | — | |
| SCHEMBL2052713 | 0.67 | — | — | |
| SCHEMBL18675284 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3600327-A1 | HETEROCYCLIC COMPOUND | Cardurion Pharmaceuticals, LLC (US) | 2020-02-05 | — | — | EP | disclosed |
| WO-2018183112-A1 | HETEROCYCLIC COMPOUND | CARDURION PHARMACEUTICALS, LLC (US) | 2018-10-04 | — | — | WO | disclosed |
| US-5153315-A | Penicilllin deriviatives | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| US-4962196-A | (3S, 4R)-3,4-trans-disubstituted azetidin-2-one intermediates | CIBA-GEIGY CORPORATION (US) | 1990-10-09 | — | — | US | disclosed |