⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6986494 | 0.70 | — | — | |
| SCHEMBL18469318 | 0.67 | — | — | |
| SCHEMBL25757526 | 0.67 | — | — | |
| SCHEMBL10960595 | 0.63 | GSK3A (0.32) | — | |
| SCHEMBL27919395 | 0.60 | — | — | |
| SCHEMBL208318 | 0.58 | — | — | |
| SCHEMBL27772741 | 0.55 | — | — | |
| SCHEMBL29564458 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL29350580 | 0.54 | KDM4E (0.31) | — | |
| SCHEMBL27815530 | 0.54 | — | — |
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-8030518-B2 | E.g., N-(5-(4-fluorophenylamino)-1,3-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3,3-dimethylbutanamide; treating or preventing neuropathic and chronic pain, bipolar disorder, migraine, epilepsy, a seizure or a disorder characterized by a seizure | VALEANT PHARMACEUTICALS INTERNATIONAL (US) | 2011-10-04 | — | — | US | disclosed |
| US-20080234334-A1 | 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS | VALEANT PHARMACEUTICALS INTERNATIONAL (US) | 2008-09-25 | — | — | US | disclosed |
| EP-0783503-A1 | 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO 1,2-a]PYRAZINE DERIVATIVES | PFIZER INC. (US) | 1997-07-16 | — | — | EP | disclosed |
| WO-1996010571-A1 | 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO[1,2-a]PYRAZINE DERIVATIVES | PFIZER INC. (US) | 1996-04-11 | — | — | WO | disclosed |