⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3883020 | 0.66 | — | — | |
| SCHEMBL3885051 | 0.66 | — | — | |
| SCHEMBL6234127 | 0.65 | — | — | |
| SCHEMBL9820299 | 0.61 | — | — | |
| SCHEMBL3319778 | 0.61 | — | — | |
| SCHEMBL4419955 | 0.61 | — | — | |
| SCHEMBL2841180 | 0.60 | — | — | |
| SCHEMBL5261551 | 0.58 | — | — | |
| SCHEMBL29617427 | 0.58 | — | — | |
| SCHEMBL6655671 | 0.58 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6841684-B2 | For therapy of chronic pain, glaucoma or elevated intraocular pressure and other diseases with substantially reduced cardiovascular or sedative side effects | ALLERGAN, INC. (US) | 2005-01-11 | — | — | US | disclosed |
| US-6329369-B1 | ANALGESICS FOR TREATING GLAUCOMA OR ELEVATED PRESSURE AND OTHER DISEASES WITH REDUCED SIDE EFFECTS BY TREATING A MAMMAL IN NEED THEREOF AN AGONIST OF ALPHA 2B OR ALPHA 2B/2C ADRENERGIC RECEPTOR | ALLERGAN SALES, INC. | 2001-12-11 | — | — | US | disclosed |
| EP-0574313-B1 | 1,4-Disubstituted piperazines for the treatment of disorders of the central nervous system and neuro-endocrine disorders | ADIR (FR) | 1999-10-06 | — | — | EP | disclosed |
| US-5464834-A | Antidepressants, central nervous system | ADIR ET COMPAGNIE (FR) | 1995-11-07 | — | — | US | disclosed |
| EP-0574313-A1 | 1,4-Disubstituted piperazines for the treatment of disorders of the central nervous system and neuro-endocrine disorders | ADIR ET COMPAGNIE (FR) | 1993-12-15 | — | — | EP | disclosed |