⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3610101 | 0.78 | — | — | |
| SCHEMBL16859351 | 0.75 | — | — | |
| SCHEMBL376948 | 0.70 | — | — | |
| SCHEMBL10582005 | 0.70 | — | — | |
| SCHEMBL2300908 | 0.69 | — | — | |
| SCHEMBL9292897 | 0.69 | — | — | |
| SCHEMBL9723624 | 0.68 | — | — | |
| SCHEMBL7328511 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL13389955 | 0.67 | — | — | |
| SCHEMBL9181729 | 0.66 | — | — |
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-0648769-A1 | 12-Hetero-substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizium salts and compositions and method of use thereof | STERLING WINTHROP INC. (US) | 1995-04-19 | — | — | EP | disclosed |
| US-5380729-A | Treatment or prevention of neurodegenerative disorders or neurotoxic injuries | STERLING WINTHROP INC. (US) | 1995-01-10 | — | — | US | disclosed |
| EP-0235877-A1 | Triazolyl butanoic acid derivatives, process for their preparation and their use as plant growth regulators | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-09-09 | — | — | EP | disclosed |