⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8922950 | 1.00 | — | — | |
| SCHEMBL38426 | 0.88 | NPC1 (0.33) | — | |
| SCHEMBL38425 | 0.88 | NPC1 (0.33) | — | |
| SCHEMBL2773413 | 0.86 | NPC1 (0.36) | — | |
| SCHEMBL2773414 | 0.86 | NPC1 (0.36) | — | |
| SCHEMBL8863186 | 0.82 | — | — | |
| SCHEMBL8863188 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL8922955 | 0.79 | HTT (0.35) | — | |
| SCHEMBL10973466 | 0.73 | EPHX1 (0.35) | — | |
| SCHEMBL17611111 | 0.73 | — | — |
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-5670493-A | ANGIOGENESIS INHIBITORS | ADIR ET COMPAGNIE (FR) | 1997-09-23 | — | — | US | disclosed |