⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4230103 | 0.80 | PDE10A (0.33) | — | |
| SCHEMBL857483 | 0.74 | — | — | |
| SCHEMBL31018246 | 0.73 | MAPK1 (0.34) | — | |
| SCHEMBL31018247 | 0.73 | MAPK1 (0.34) | — | |
| SCHEMBL413823 | 0.72 | HTR2A (0.50) | — | |
| SCHEMBL30967900 | 0.72 | HTR2A (0.50) | — | |
| SCHEMBL16417124 | 0.72 | PRKCI (0.38) | — | |
| SCHEMBL1336229 | 0.70 | HSD17B10 (0.36) | — | |
| SCHEMBL516662 | 0.69 | HTR7 (0.40) | — | |
| SCHEMBL19617761 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200231593-A1 | SALTS AND CRYSTALLINE FORMS OF AN APOPTOSIS-INDUCING AGENT | ABBVIE INC (US) | 2020-07-23 | — | — | US | disclosed |
| EP-1089993-B1 | 5-HT1F AGONISTS | LILLY CO ELI (US) | 2003-10-22 | — | — | EP | disclosed |
| US-6358972-B1 | FOR THERAPY OF MIGRAINE | ELI LILLY AND COMPANY | 2002-03-19 | — | — | US | disclosed |
| EP-1089993-A1 | 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-2000000490-A2 | 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2000-01-06 | — | — | WO | disclosed |
| WO-2000000487-A1 | 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2000-01-06 | — | — | WO | disclosed |