⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2058389 | 0.78 | — | — | |
| SCHEMBL8327572 | 0.78 | — | — | |
| SCHEMBL143017 | 0.77 | — | — | |
| SCHEMBL21442863 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL28387451 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL11896951 | 0.75 | — | — | |
| SCHEMBL2233025 | 0.74 | — | — | |
| SCHEMBL3400008 | 0.74 | — | — | |
| SCHEMBL15896575 | 0.74 | — | — | |
| SCHEMBL10351586 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4478833-A | ANTICOAGULANTS | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-10-23 | — | — | US | disclosed |