⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2186533 | 0.86 | GAA (0.53) | — | |
| SCHEMBL2053649 | 0.83 | — | — | |
| SCHEMBL622441 | 0.83 | — | — | |
| SCHEMBL4167987 | 0.82 | — | — | |
| SCHEMBL7782041 | 0.82 | — | — | |
| SCHEMBL27765123 | 0.81 | — | — | |
| SCHEMBL8896628 | 0.81 | CNR1 (0.53) | — | |
| SCHEMBL4103969 | 0.81 | SELP (0.56) | — | |
| SCHEMBL11528832 | 0.79 | SELP (0.59) | — | |
| SCHEMBL21216091 | 0.79 | SELP (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 |
|---|---|---|---|---|---|---|---|
| CN-101027285-A | Process for preparing bicyclic pyrazolyl compounds | PFIZER PROD INC (US) | 2007-08-29 | — | — | CN | disclosed |
| CN-1886407-A | Bicyclic pyrazolyl and imidazolyl compounds and uses thereof | PFIZER (US) | 2006-12-27 | — | — | CN | disclosed |