⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24924897 | 0.79 | — | — | |
| SCHEMBL12670003 | 0.74 | — | — | |
| SCHEMBL14223689 | 0.74 | — | — | |
| SCHEMBL12061805 | 0.74 | — | — | |
| SCHEMBL2097007 | 0.74 | — | — | |
| SCHEMBL23990882 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL9157959 | 0.72 | — | — | |
| SCHEMBL24770376 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL21100631 | 0.72 | — | — | |
| SCHEMBL24925064 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0281283-A1 | Heterocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-09-07 | — | — | EP | claimed |