⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7292726 | 0.98 | RAB9A (0.36) | — | |
| SCHEMBL3474902 | 0.92 | — | — | |
| SCHEMBL28429259 | 0.84 | — | — | |
| SCHEMBL28944683 | 0.82 | TRPM8 (0.39) | — | |
| SCHEMBL12958892 | 0.78 | — | — | |
| SCHEMBL8431500 | 0.78 | — | — | |
| SCHEMBL16611870 | 0.78 | — | — | |
| SCHEMBL16361179 | 0.78 | — | — | |
| SCHEMBL19817080 | 0.76 | TRPM8 (0.36) | — | |
| SCHEMBL28059417 | 0.74 | TRPM8 (0.37) | — |
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-110869368-B | Process for the preparation of (2S) -2- [ (1H-pyrazol-1-yl) methyl ] -1, 3-oxazinane derivatives | 大正制药株式会社 | 2023-03-28 | — | — | CN | disclosed |
| US-11198690-B2 | Method for producing (2S)-2-[(1H-pyrazol-1-yl)methyl]-1,3-oxazinane derivative | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2021-12-14 | — | — | US | disclosed |
| US-20210147400-A1 | METHOD FOR PRODUCING (2S)-2-[(1H-PYRAZOL-1-YL)METHYL]-1,3-OXAZINANE DERIVATIVE | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2021-05-20 | — | — | US | disclosed |
| CN-111286041-A | Demethylated lignin, preparation method thereof and application thereof in phenolic resin adhesive | 南京工业大学 | 2020-06-16 | — | — | CN | disclosed |
| EP-3653623-A1 | METHOD FOR PRODUCING (2S)-2-[(1H-PYRAZOL-1-YL)METHYL]-1,3-OXAZINANE DERIVATIVE | Taisho Pharmaceutical Co., Ltd. (JP) | 2020-05-20 | — | — | EP | disclosed |
| CN-110869368-A | Preparation method of (2S) -2- [ (1H-pyrazol-1-yl) methyl ] -1, 3-oxazinane derivative | 大正制药株式会社 | 2020-03-06 | — | — | CN | disclosed |