⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21358285 | 0.85 | — | — | |
| SCHEMBL22749687 | 0.81 | CA2 (0.30) | — | |
| SCHEMBL10793387 | 0.67 | POLA1 (0.30) | — | |
| SCHEMBL4438907 | 0.67 | — | — | |
| SCHEMBL2316537 | 0.65 | CYP2D6 (0.33) | — | |
| SCHEMBL11401594 | 0.64 | — | — | |
| SCHEMBL14685926 | 0.63 | — | — | |
| SCHEMBL9278597 | 0.62 | — | — | |
| SCHEMBL15973215 | 0.62 | — | — | |
| SCHEMBL6657856 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040077861-A1 | Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates | ASTRAZENECA AB (SE) | 2004-04-22 | — | — | US | disclosed |