⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20809055 | 0.87 | ADORA2A (0.35) | — | |
| SCHEMBL12794026 | 0.77 | — | — | |
| SCHEMBL15942756 | 0.76 | KDM1A (0.33) | — | |
| SCHEMBL2657962 | 0.74 | — | — | |
| SCHEMBL5261525 | 0.74 | — | — | |
| SCHEMBL246894 | 0.74 | — | — | |
| SCHEMBL5265891 | 0.74 | — | — | |
| SCHEMBL7269638 | 0.74 | TLR7 (0.33) | — | |
| SCHEMBL15308486 | 0.72 | HTR1A (0.35) | — | |
| SCHEMBL19129203 | 0.71 | HTR1A (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3453707-B1 | BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | SHANGHAI DE NOVO PHARMATECH CO LTD (CN) | 2022-02-16 | — | — | EP | disclosed |
| US-20120190665-A1 | PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS | GENENTECH, INC. (US) | 2012-07-26 | — | — | US | disclosed |
| US-20070161685-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-07-12 | — | — | US | disclosed |