⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3703276 | 0.96 | — | — | |
| SCHEMBL3502838 | 0.82 | — | — | |
| SCHEMBL7379853 | 0.80 | MTNR1A (0.50) | — | |
| SCHEMBL7372627 | 0.79 | ENPP2 (0.49) | — | |
| SCHEMBL3509295 | 0.78 | MAOB (0.42) | — | |
| SCHEMBL3507030 | 0.74 | MAOA (0.51) | — | |
| SCHEMBL27621116 | 0.73 | HTT (0.51) | — | |
| SCHEMBL3654708 | 0.73 | — | — | |
| SCHEMBL3015067 | 0.70 | MEN1 (0.56) | — | |
| SCHEMBL12869121 | 0.69 | MEN1 (0.56) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5380755-A | Monoamine oxidase inhibitors | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-10 | — | — | US | claimed |
| US-5380755-A | Monoamine oxidase inhibitors | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-10 | — | — | US | disclosed |