⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL284608 | 1.00 | — | — | |
| SCHEMBL14944940 | 1.00 | — | — | |
| SCHEMBL17663536 | 1.00 | — | — | |
| SCHEMBL11474705 | 1.00 | — | — | |
| SCHEMBL6702143 | 0.89 | ALDH1A1 (0.50) | — | |
| SCHEMBL19171465 | 0.89 | ALDH1A1 (0.50) | — | |
| SCHEMBL30392575 | 0.89 | ALDH1A1 (0.50) | — | |
| SCHEMBL284632 | 0.89 | ALDH1A1 (0.50) | — | |
| SCHEMBL1014010 | 0.89 | ALDH1A1 (0.50) | — | |
| SCHEMBL14754592 | 0.89 | ALDH1A1 (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8921373-B2 | Compounds having TRPV1 antagonistic activity and uses thereof | SHIONOGI & CO., LTD. (JP) | 2014-12-30 | — | — | US | disclosed |
| US-20130123239-A1 | COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF | PURDUE PHARMA L.P. | 2013-05-16 | — | — | US | disclosed |