⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17103399 | 0.73 | — | — | |
| SCHEMBL13327029 | 0.67 | DAO (0.41) | — | |
| SCHEMBL5094367 | 0.62 | — | — | |
| SCHEMBL680597 | 0.60 | — | — | |
| SCHEMBL1777262 | 0.59 | GABRA1 (0.35) | — | |
| SCHEMBL20376636 | 0.59 | DAO (0.35) | — | |
| SCHEMBL14012134 | 0.59 | GABRA1 (0.35) | — | |
| SCHEMBL676948 | 0.59 | GABRA1 (0.40) | — | |
| SCHEMBL20207796 | 0.59 | PARP1 (0.38) | — | |
| SCHEMBL59521 | 0.59 | PTGS1 (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0373836-B1 | Improvements in or relating to serotonin and norepinephrine uptake inhibitors | LILLY CO ELI (US) | 1994-03-16 | — | — | EP | disclosed |
| EP-0373836-A1 | Improvements in or relating to serotonin and norepinephrine uptake inhibitors | ELI LILLY AND COMPANY (US) | 1990-06-20 | — | — | EP | disclosed |
| US-4902710-A | THIO-, SULFINYL-, OR SULFONYL-PROPANAMINES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS; NERVOUS SYSTEM DISORDERS | ELI LILLY AND COMPANY (US) | 1990-02-20 | — | — | US | disclosed |