⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1408403 | 1.00 | — | — | |
| SCHEMBL8848805 | 0.84 | MTNR1A (0.36) | — | |
| SCHEMBL30176231 | 0.81 | CYP2D6 (0.40) | — | |
| SCHEMBL20615614 | 0.80 | GABRP (0.40) | — | |
| SCHEMBL16103419 | 0.79 | — | — | |
| SCHEMBL842714 | 0.79 | — | — | |
| SCHEMBL4528459 | 0.79 | — | — | |
| SCHEMBL10098454 | 0.79 | — | — | |
| SCHEMBL856065 | 0.79 | — | — | |
| SCHEMBL10062233 | 0.78 | MTNR1A (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018054549-A1 | 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL | Grünenthal GmbH (DE) | 2018-03-29 | — | — | WO | disclosed |