⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14142961 | 0.93 | TRPA1 (0.32) | — | |
| SCHEMBL14248522 | 0.93 | TRPA1 (0.32) | — | |
| SCHEMBL21114325 | 0.91 | ADH1C (0.32) | — | |
| SCHEMBL21114241 | 0.91 | ADH1C (0.32) | — | |
| SCHEMBL21114335 | 0.91 | ADH1C (0.32) | — | |
| SCHEMBL21114305 | 0.91 | ADH1C (0.32) | — | |
| SCHEMBL21114274 | 0.91 | ADH1C (0.32) | — | |
| SCHEMBL21114268 | 0.91 | ADH1C (0.32) | — | |
| SCHEMBL1425942 | 0.84 | — | — | |
| SCHEMBL4580550 | 0.77 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110072864-A | TDO2 INHIBITORS | 基因泰克公司 | 2019-07-30 | — | — | CN | disclosed |
| US-8632792-B2 | Cooling sensation agent composition and sensory stimulation agent composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-01-21 | — | — | US | disclosed |
| US-20110117147-A1 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-05-19 | — | — | US | disclosed |
| WO-2009123355-A2 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-10-08 | — | — | WO | disclosed |
| US-7452908-B2 | Amide derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-11-18 | — | — | US | disclosed |
| US-6809108-B1 | SELECTIVE MUSCARINIC M3 RECEPTOR ANTAGONTS; REDUCED SIDE EFFECTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-10-26 | — | — | US | disclosed |
| US-20040204369-A1 | Novel amide derivatives | MSD K.K. (JP) | 2004-10-14 | — | — | US | disclosed |
| EP-1213281-B1 | NOVEL AMIDE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2004-02-18 | — | — | EP | disclosed |
| EP-1213281-A1 | NOVEL AMIDE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2002-06-12 | — | — | EP | disclosed |