⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3834918 | 0.89 | PDE4A (0.33) | — | |
| SCHEMBL3832422 | 0.76 | DAO (0.38) | — | |
| SCHEMBL3830620 | 0.67 | KDM1A (0.46) | — | |
| SCHEMBL6379419 | 0.66 | CYP2C9 (0.37) | — | |
| SCHEMBL26018710 | 0.64 | DAO (0.41) | — | |
| SCHEMBL7608263 | 0.64 | PDE4A (0.40) | — | |
| SCHEMBL21260401 | 0.63 | PDE4A (0.39) | — | |
| SCHEMBL5782288 | 0.62 | DRD2 (0.43) | — | |
| SCHEMBL7243821 | 0.61 | DRD2 (0.43) | — | |
| SCHEMBL29848832 | 0.61 | DAO (0.37) | — |
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-1648893-A1 | NICOTINE ADDICTION REDUCING HETEROARYL FUSED AZAPOLYCYCLIC COMPOUNDS | Pfizer Products Inc. (US) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005007655-A1 | NICOTINE ADDICTION REDUCING HETEROARYL FUSED AZAPOLYCYCLIC COMPOUNDS | PFIZER PRODUCTS INC. (US) | 2005-01-27 | — | — | WO | disclosed |