⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1643947 | 0.85 | HDAC3 (0.63) | — | |
| SCHEMBL936835 | 0.83 | — | — | |
| Water SCHEMBL29155573 | 0.82 | HDAC3 (0.60) | — | |
| SCHEMBL27827146 | 0.80 | HSP90AA1 (0.61) | — | |
| SCHEMBL11777288 | 0.80 | HDAC3 (0.57) | — | |
| SCHEMBL3065333 | 0.79 | — | — | |
| SCHEMBL21605295 | 0.79 | HDAC3 (0.50) | — | |
| SCHEMBL28247132 | 0.79 | — | — | |
| SCHEMBL13543497 | 0.78 | HDAC3 (0.55) | — | |
| SCHEMBL6972817 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5102997-A | Antibiotics | SANKYO COMPANY LIMITED (JP) | 1992-04-07 | — | — | US | disclosed |
| EP-0160391-A1 | Carbapenem derivatives and compositions containing them | SANKYO COMPANY LIMITED (JP) | 1985-11-06 | — | — | EP | disclosed |