⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27797365 | 0.70 | — | — | |
| SCHEMBL167844 | 0.70 | — | — | |
| SCHEMBL10970551 | 0.70 | — | — | |
| Formaldehyde SCHEMBL11566715 | 0.70 | — | — | |
| SCHEMBL27922143 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL22105 | 0.69 | — | — | |
| Formaldehyde SCHEMBL4378361 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL10970555 | 0.67 | — | — | |
| SCHEMBL16865694 | 0.67 | — | — | |
| SCHEMBL4983920 | 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-0673928-A1 | Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists | SANOFI (FR) | 1995-09-27 | — | — | EP | disclosed |