⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11698698 | 1.00 | NOS3 (0.41) | — | |
| SCHEMBL11701358 | 1.00 | NOS3 (0.41) | — | |
| SCHEMBL11700517 | 1.00 | — | — | |
| SCHEMBL11698693 | 1.00 | NOS3 (0.41) | — | |
| SCHEMBL11702414 | 1.00 | NOS3 (0.41) | — | |
| SCHEMBL11701363 | 1.00 | NOS3 (0.41) | — | |
| SCHEMBL11702409 | 1.00 | NOS3 (0.41) | — | |
| SCHEMBL10795675 | 0.97 | — | — | |
| SCHEMBL246346 | 0.90 | — | — | |
| Ethylene Thiourea SCHEMBL19022294 | 0.78 | ALDH1A1 (0.40) | — |
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-RE29358-E | ANTI-MALARIA AND ANTI-TUBERCULOSIS AGENTS | AMERICAN CYANAMID COMPANY (US) | 1977-08-16 | — | — | US | disclosed |