⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL262159 | 0.81 | — | — | |
| SCHEMBL17479799 | 0.81 | — | — | |
| Benzene SCHEMBL28151552 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL21485018 | 0.71 | — | — | |
| SCHEMBL4862959 | 0.71 | — | — | |
| SCHEMBL819044 | 0.71 | — | — | |
| SCHEMBL3028967 | 0.71 | — | — | |
| SCHEMBL818780 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL2892629 | 0.69 | — | — | |
| SCHEMBL819664 | 0.67 | — | — |
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-0296749-B1 | (Substituted aralkyl) heterocyclic compounds | ZENECA LTD (GB) | 1994-10-26 | — | — | EP | claimed |