⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL191881 | 0.83 | — | — | |
| SCHEMBL3708618 | 0.73 | — | — | |
| SCHEMBL191466 | 0.69 | — | — | |
| SCHEMBL17599558 | 0.64 | — | — | |
| SCHEMBL1310728 | 0.64 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL2727810 | 0.64 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL3588788 | 0.64 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL12110722 | 0.64 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL1310726 | 0.64 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL18700740 | 0.62 | SMN1; SMN2 (0.46) | — |
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-7928099-B2 | Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists | PFIZER INC (US) | 2011-04-19 | — | — | US | disclosed |