⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4868154 | 0.87 | — | — | |
| SCHEMBL4870226 | 0.87 | — | — | |
| SCHEMBL12497268 | 0.85 | CRHR1 (0.56) | — | |
| SCHEMBL4868044 | 0.82 | — | — | |
| SCHEMBL4868020 | 0.73 | — | — | |
| SCHEMBL4868097 | 0.73 | — | — | |
| SCHEMBL4873546 | 0.73 | — | — | |
| SCHEMBL1633087 | 0.72 | CRHR1 (0.59) | — | |
| SCHEMBL1633084 | 0.72 | CRHR1 (0.59) | — | |
| SCHEMBL14622067 | 0.72 | — | — |
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-20110166160-A1 | Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity | BRISTOL-MYERS SQUIBB COMPANY | 2011-07-07 | — | — | US | disclosed |