⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6843588 | 0.74 | — | — | |
| SCHEMBL5877692 | 0.66 | ALOX5 (0.30) | — | |
| SCHEMBL10414450 | 0.65 | — | — | |
| SCHEMBL10413912 | 0.62 | — | — | |
| SCHEMBL895316 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL6311512 | 0.60 | — | — | |
| SCHEMBL4063910 | 0.60 | CA1 (0.36) | — | |
| SCHEMBL28847273 | 0.60 | — | — | |
| SCHEMBL9089474 | 0.58 | — | — | |
| SCHEMBL9089485 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6372762-B1 | HETEROCYCLIC COMPOUNDS FOR NERVOUS SYSTEM DISORDERS | PFIZER INC. | 2002-04-16 | — | — | US | disclosed |
| US-20020019401-A1 | Substituted bicyclic derivatives for treating central nervous system disorders | FLIRI ANTON FRANZ JOSEPH (US) | 2002-02-14 | — | — | US | disclosed |
| EP-0953567-A2 | Bicyclic substituted piperazine-, piperidine- and tetrahydropyridine derivatives, their preparation and their use as agents with central dopaminergic (dopamine D4 receptor) activity | Pfizer Products Inc. (US) | 1999-11-03 | — | — | EP | disclosed |