⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35798 | 0.72 | — | — | |
| SCHEMBL5524685 | 0.72 | — | — | |
| SCHEMBL20514349 | 0.72 | MAPK1 (0.50) | — | |
| SCHEMBL10073780 | 0.72 | — | — | |
| SCHEMBL6248399 | 0.72 | — | — | |
| SCHEMBL5528595 | 0.72 | — | — | |
| SCHEMBL8437357 | 0.69 | HSD17B10 (0.52) | — | |
| SCHEMBL15183 | 0.69 | — | — | |
| SCHEMBL30368919 | 0.69 | HSD17B10 (0.60) | — | |
| SCHEMBL76862 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1103620-B1 | Process for preparing (s)-3-halogeno-1,2-propanediol by Pseudomonas | DAISO CO LTD (JP) | 2003-08-27 | — | — | EP | claimed |