⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1369784 | 0.76 | — | — | |
| SCHEMBL28189606 | 0.70 | — | — | |
| SCHEMBL29054927 | 0.67 | — | — | |
| SCHEMBL252596 | 0.67 | — | — | |
| SCHEMBL8731778 | 0.67 | — | — | |
| SCHEMBL10906818 | 0.67 | — | — | |
| Water SCHEMBL6337368 | 0.67 | — | — | |
| SCHEMBL5532080 | 0.67 | — | — | |
| SCHEMBL20663200 | 0.67 | — | — | |
| SCHEMBL5742119 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006121922-A1 | MONOAMINE RE-UPTAKE INHIBITORS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. (US) | 2006-11-16 | — | — | WO | disclosed |
| US-20060252818-A1 | Monoamine re-uptake inhibitors and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. | 2006-11-09 | — | — | US | disclosed |