⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL146650 | 0.87 | — | — | |
| SCHEMBL2290862 | 0.83 | — | — | |
| SCHEMBL2290046 | 0.83 | — | — | |
| SCHEMBL25399146 | 0.83 | GLA (0.31) | — | |
| SCHEMBL2290752 | 0.83 | — | — | |
| SCHEMBL6222350 | 0.79 | AR (0.40) | — | |
| SCHEMBL2283173 | 0.78 | HTR2A (0.35) | — | |
| SCHEMBL27689070 | 0.76 | HTR2C (0.36) | — | |
| SCHEMBL2283793 | 0.74 | — | — | |
| SCHEMBL4154060 | 0.74 | KDM4E (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016155831-A1 | ISOXAZOLINE-STYRENE DERIVATIVES AS INSECTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-10-06 | — | — | WO | disclosed |
| US-8778956-B2 | Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders | JANSSEN PHARMACEUTICA NV (BE) | 2014-07-15 | — | — | US | disclosed |
| US-7989394-B2 | Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane compounds | BASF SE (DE) | 2011-08-02 | — | — | US | disclosed |
| US-7582649-B2 | Oral administration of a dosage of 3-(3-amino-2-(R)-hydroxy-propyl)-1-(4-fluoro-phenyl)-8-(8-methyl-naphthalen-1-ylmethyl)-1,3,8-triaza-spiro[4.5]decan-4-one and a carrier; opiod receptor-like-1 G-protein coupled receptor inhibitors; psychological disorders; nervous system disorders; antidiabetic agents | JANSSEN PHARMACEUTICA, NV (BE) | 2009-09-01 | — | — | US | disclosed |
| US-20090131256-A1 | Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds | BASF SE (DE) | 2009-05-21 | — | — | US | disclosed |
| US-20090124614-A1 | HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS | BATTISTA KATHLEEN | 2009-05-14 | — | — | US | disclosed |
| US-20060030577-A1 | Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders | BATTISTA KATHLEEN | 2006-02-09 | — | — | US | disclosed |