⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1784173 | 0.79 | — | — | |
| SCHEMBL1782378 | 0.78 | TRPA1 (0.36) | — | |
| SCHEMBL1782380 | 0.78 | TRPA1 (0.36) | — | |
| SCHEMBL1783376 | 0.76 | RIPK1 (0.35) | — | |
| SCHEMBL1783234 | 0.76 | — | — | |
| SCHEMBL5744640 | 0.75 | — | — | |
| SCHEMBL1783647 | 0.75 | ACACB (0.38) | — | |
| Glycerin SCHEMBL8037486 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL2163787 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL7194481 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110835296-B | Preparation process of 2,2, 4-trimethyl-3-hydroxypentanoic acid | 润泰化学（泰兴）有限公司 | 2022-05-03 | — | — | CN | claimed |
| CN-113956132-B | Preparation method of trimethylpentanediol | 吉林化工学院 | 2024-03-19 | — | — | CN | disclosed |
| CN-113956132-A | Preparation method of trimethylpentanediol | 吉林化工学院 | 2022-01-21 | — | — | 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 |