⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7507421 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL28664889 | 0.76 | — | — | |
| SCHEMBL27509632 | 0.76 | — | — | |
| SCHEMBL27835768 | 0.68 | — | — | |
| SCHEMBL24916721 | 0.64 | — | — | |
| SCHEMBL8694268 | 0.61 | — | — | |
| SCHEMBL28208254 | 0.61 | — | — | |
| SCHEMBL10921193 | 0.59 | — | — | |
| SCHEMBL19067974 | 0.59 | — | — | |
| SCHEMBL3658431 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0490962-A1 | ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-06-24 | — | — | EP | disclosed |
| WO-1991003243-A1 | ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-03-21 | — | — | WO | disclosed |