⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9310993 | 0.83 | NOS2 (0.46) | — | |
| SCHEMBL15277643 | 0.81 | SLC6A3 (0.39) | — | |
| SCHEMBL1128418 | 0.78 | NOS3 (0.42) | — | |
| SCHEMBL8545461 | 0.77 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL23880690 | 0.75 | CYP2D6 (0.33) | — | |
| SCHEMBL11918070 | 0.75 | — | — | |
| SCHEMBL29974422 | 0.75 | CYP2D6 (0.33) | — | |
| SCHEMBL8819693 | 0.75 | NOS3 (0.36) | — | |
| SCHEMBL20994339 | 0.74 | — | — | |
| SCHEMBL4270997 | 0.74 | CA2 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4463005-A | INHIBIT SECRETION OF GASTRIC ACID | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-07-31 | — | — | US | disclosed |
| EP-0060730-A2 | Bicyclic derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-09-22 | — | — | EP | disclosed |