⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL52936 | 0.77 | — | — | |
| SCHEMBL14953811 | 0.74 | — | — | |
| SCHEMBL5569417 | 0.72 | — | — | |
| Carbon Monoxide SCHEMBL9218219 | 0.70 | — | — | |
| SCHEMBL7542500 | 0.69 | — | — | |
| SCHEMBL3339009 | 0.69 | — | — | |
| Carbon Monoxide SCHEMBL1981498 | 0.69 | — | — | |
| SCHEMBL4260534 | 0.69 | — | — | |
| SCHEMBL3006863 | 0.67 | — | — | |
| SCHEMBL3012180 | 0.67 | — | — |
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-2009019412-A1 | RACEMISATION PROCESS FOR OBTAINING (1S,4S) N-METHYL-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENEAMINE (SERTRALINE) | NPIL PHARMACEUTICALS (UK) LIMITED (GB) | 2009-02-12 | — | — | WO | disclosed |
| US-7408082-B1 | Racemisation process | NPIL PHARMACEUTICALS (UK) LIMITED (GB) | 2008-08-05 | — | — | US | disclosed |