⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8356400 | 0.78 | MTNR1A (0.37) | — | |
| SCHEMBL7273445 | 0.73 | CYP2C9 (0.41) | — | |
| SCHEMBL7665342 | 0.68 | — | — | |
| SCHEMBL9578764 | 0.68 | PNMT (0.31) | — | |
| SCHEMBL9578895 | 0.68 | GRIA1 (0.33) | — | |
| SCHEMBL4826085 | 0.65 | GRIN2D (0.36) | — | |
| SCHEMBL3672272 | 0.65 | CYP2C9 (0.48) | — | |
| SCHEMBL7442506 | 0.65 | SLC11A2 (0.35) | — | |
| SCHEMBL5185932 | 0.64 | GABRA1 (0.42) | — | |
| SCHEMBL10310220 | 0.64 | MAPK8 (0.43) | — |
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-6376534-B1 | GUANIDINE COMPOUND; SIDE EFFECT REDUCTION | ASTRAZENECA CANADA INC. (CA) | 2002-04-23 | — | — | US | disclosed |