⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42116 | 0.70 | — | — | |
| SCHEMBL21057035 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL21603009 | 0.61 | — | — | |
| SCHEMBL21602998 | 0.60 | — | — | |
| SCHEMBL28407755 | 0.58 | — | — | |
| SCHEMBL21313667 | 0.55 | — | — | |
| SCHEMBL25389706 | 0.54 | — | — | |
| SCHEMBL10113114 | 0.50 | — | — | |
| SCHEMBL14034413 | 0.50 | — | — | |
| SCHEMBL16212586 | 0.44 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1554286-B1 | FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS | JANSSEN PHARMACEUTICA NV (BE) | 2010-01-27 | — | — | EP | disclosed |
| EP-1554286-B1 | FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS | JANSSEN PHARMACEUTICA NV (BE) | 2010-01-27 | — | — | EP | disclosed |
| CN-100522972-C | Fused heterocyclic isoxazoline derivatives and their use as anti-depressants | JANSSEN PHARMACEUTICA NV (BE) | 2009-08-05 | — | — | CN | disclosed |
| US-7501418-B2 | e.g. 3-[4-(2-Methyl-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-2,5-dioxa-1,7-diaza-dicyclopenta[a,g]naphthalene; serotonine (5-HT) reuptake inhibitor, alpha 2-adrenoceptor antagonist; antidepressant, anxiolytic agent; Parkinson's disease, eating disorders, psychosis, obesity | JANSSEN PHARMACEUTICA, N.V. (BE) | 2009-03-10 | — | — | US | disclosed |
| US-7501418-B2 | e.g. 3-[4-(2-Methyl-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-2,5-dioxa-1,7-diaza-dicyclopenta[a,g]naphthalene; serotonine (5-HT) reuptake inhibitor, alpha 2-adrenoceptor antagonist; antidepressant, anxiolytic agent; Parkinson's disease, eating disorders, psychosis, obesity | JANSSEN PHARMACEUTICA, N.V. (BE) | 2009-03-10 | — | — | US | disclosed |
| US-20060116378-A1 | Fused heterocyclic isoxazoline derivatives and their use as anti-derpressants | JANSSEN-CILAG S.A. (ES) | 2006-06-01 | — | — | US | disclosed |
| US-20060116378-A1 | Fused heterocyclic isoxazoline derivatives and their use as anti-derpressants | JANSSEN-CILAG S.A. (ES) | 2006-06-01 | — | — | US | disclosed |
| CN-1675224-A | fused heterocyclic isoxazoline derivatives and their use as antidepressants | JANSSEN PHARMACEUTICA NV (BE) | 2005-09-28 | — | — | CN | disclosed |
| EP-1554286-A1 | FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-07-20 | — | — | EP | disclosed |
| EP-1554286-A1 | FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-07-20 | — | — | EP | disclosed |
| WO-2004018483-A1 | FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-03-04 | — | — | WO | disclosed |
| WO-2004018483-A1 | FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-03-04 | — | — | WO | disclosed |