⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29257444 | 0.78 | — | — | |
| SCHEMBL1784351 | 0.78 | — | — | |
| SCHEMBL7153761 | 0.78 | — | — | |
| SCHEMBL489381 | 0.78 | — | — | |
| SCHEMBL22748732 | 0.78 | — | — | |
| SCHEMBL1784629 | 0.77 | TRPA1 (0.37) | — | |
| SCHEMBL1784627 | 0.77 | TRPA1 (0.37) | — | |
| SCHEMBL1782187 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL11645251 | 0.74 | — | — | |
| SCHEMBL11591700 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113891882-B | Process for producing dihydroisoxazole | 组合化学工业株式会社 | 2024-11-26 | — | — | CN | disclosed |
| CN-117396464-A | Process for producing aldehyde compound and dihydroisoxazole compound | 组合化学工业株式会社 | 2024-01-12 | — | — | CN | disclosed |
| WO-2023054702-A1 | ALDEHYDE COMPOUND PRODUCTION METHOD AND DIHYDROISOXAZOLE COMPOUND PRODUCTION METHOD | クミアイ化学工業株式会社 | 2023-04-06 | — | — | WO | disclosed |
| CN-113891882-A | Method for producing dihydroisoxazole | 组合化学工业株式会社 | 2022-01-04 | — | — | CN | disclosed |
| WO-2020251006-A1 | METHOD FOR PRODUCING DIHYDROISOXAZOLE | クミアイ化学工業株式会社 | 2020-12-17 | — | — | WO | 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 |