⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11938156 | 0.78 | CA12 (0.44) | — | |
| Dimethyl Sulfoxide SCHEMBL28124702 | 0.76 | CA12 (0.50) | — | |
| SCHEMBL14411605 | 0.75 | — | — | |
| SCHEMBL20196176 | 0.73 | — | — | |
| SCHEMBL13692375 | 0.73 | SIGMAR1 (0.31) | — | |
| SCHEMBL3425603 | 0.71 | — | — | |
| SCHEMBL13083841 | 0.71 | — | — | |
| SCHEMBL20388571 | 0.69 | CHRM1 (0.35) | — | |
| SCHEMBL20341837 | 0.69 | CA12 (0.36) | — | |
| SCHEMBL228418 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014039042-A1 | NOVEL CANNABINERGIC COMPOUNDS AND USES THEREOF | NORTHEASTERN UNIVERSITY (US) | 2014-03-13 | — | — | WO | disclosed |
| US-8163746-B2 | Azolecarboxamide derivative | ASTELLAS PHARMA INC. (JP) | 2012-04-24 | — | — | US | disclosed |
| US-8163746-B2 | Azolecarboxamide derivative | ASTELLAS PHARMA INC. (JP) | 2012-04-24 | — | — | US | disclosed |
| US-20090286766-A1 | AZOLECARBOXAMIDE DERIVATIVE | ASTELLAS PHARMA INC. (JP) | 2009-11-19 | — | — | US | disclosed |
| US-20090286766-A1 | AZOLECARBOXAMIDE DERIVATIVE | ASTELLAS PHARMA INC. (JP) | 2009-11-19 | — | — | US | disclosed |
| EP-2009005-A1 | AZOLECARBOXAMIDE DERIVATIVE | Astellas Pharma Inc. (JP) | 2008-12-31 | — | — | EP | disclosed |