⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28698765 | 0.56 | — | — | |
| Water SCHEMBL2468632 | 0.54 | MEN1 (0.44) | — | |
| SCHEMBL16178868 | 0.44 | — | — | |
| Nitric Acid SCHEMBL28198148 | 0.44 | — | — | |
| SCHEMBL28647030 | 0.44 | — | — | |
| SCHEMBL3679428 | 0.44 | — | — | |
| Methyl Alcohol SCHEMBL28098962 | 0.44 | — | — | |
| SCHEMBL26838 | 0.43 | — | — | |
| Nitric Acid SCHEMBL6130421 | 0.43 | — | — | |
| Nitric Acid SCHEMBL12100945 | 0.42 | CA5A (0.57) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0469833-B1 | N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them | LILLY CO ELI (GB) | 1999-09-08 | — | — | EP | disclosed |
| US-5281593-A | Pharmaceuticals | LILLY INDUSTRIES LIMITED (GB) | 1994-01-25 | — | — | US | disclosed |
| EP-0469833-A1 | N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them | LILLY INDUSTRIES LIMITED (GB) | 1992-02-05 | — | — | EP | disclosed |