⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3487755 | 0.85 | — | — | |
| SCHEMBL1781487 | 0.81 | — | — | |
| SCHEMBL9617990 | 0.78 | — | — | |
| SCHEMBL15368833 | 0.77 | — | — | |
| SCHEMBL1786687 | 0.77 | TSHR (0.40) | — | |
| Acetaldehyde SCHEMBL27382311 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL10749981 | 0.76 | — | — | |
| SCHEMBL1782780 | 0.75 | TRPA1 (0.44) | — | |
| SCHEMBL1782419 | 0.75 | FDPS (0.43) | — | |
| SCHEMBL1782781 | 0.75 | TRPA1 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020251006-A1 | METHOD FOR PRODUCING DIHYDROISOXAZOLE | クミアイ化学工業株式会社 | 2020-12-17 | — | — | WO | disclosed |
| CN-110484562-B | Method for improving sterol content of rice by using ginseng transcription factor | 福建农林大学 | 2020-09-25 | — | — | CN | disclosed |
| EP-0576687-A1 | CLEANING AND DRYING SOLVENT | OLYMPUS OPTICAL CO., LTD. (JP) | 1994-01-05 | — | — | EP | disclosed |