⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13810300 | 1.00 | — | — | |
| SCHEMBL8274380 | 1.00 | — | — | |
| SCHEMBL4007948 | 1.00 | — | — | |
| Isopropyl Alcohol SCHEMBL1325431 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL106930 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL13573065 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL13773133 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL13773120 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL8150550 | 0.75 | — | — | |
| Methyl Alcohol SCHEMBL8058446 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109311819-A | Isoquinolin -3- base benzamide type and its preparation and its purposes | 萨穆梅德有限公司 | 2019-02-05 | — | — | 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 |