⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16498235 | 0.83 | FLT3 (0.49) | — | |
| SCHEMBL3502838 | 0.81 | — | — | |
| SCHEMBL3507030 | 0.80 | MAOA (0.51) | — | |
| SCHEMBL3813996 | 0.79 | MRGPRX4 (0.59) | — | |
| SCHEMBL7347439 | 0.78 | MAOB (0.67) | — | |
| SCHEMBL3703276 | 0.77 | — | — | |
| SCHEMBL9587641 | 0.74 | MAOB (0.76) | — | |
| SCHEMBL3811276 | 0.74 | KDM4E (0.60) | — | |
| SCHEMBL11563262 | 0.74 | MAOB (0.56) | — | |
| SCHEMBL23504466 | 0.74 | ABCB1 (0.50) | — |
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 4 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 |
| EP-2195029-A2 | TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES | Oryzon Genomics SA (ES) | 2010-06-16 | — | — | EP | disclosed |
| WO-2009027349-A2 | TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES | ORYZON GENOMICS SA (ES) | 2009-03-05 | — | — | WO | disclosed |
| US-5380755-A | Monoamine oxidase inhibitors | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-10 | — | — | US | disclosed |