⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17063069 | 0.78 | — | — | |
| SCHEMBL902451 | 0.75 | — | — | |
| SCHEMBL11370127 | 0.75 | — | — | |
| SCHEMBL1160921 | 0.73 | — | — | |
| SCHEMBL2668083 | 0.73 | — | — | |
| SCHEMBL7963562 | 0.71 | — | — | |
| SCHEMBL16726615 | 0.69 | — | — | |
| SCHEMBL3132487 | 0.69 | — | — | |
| SCHEMBL31490933 | 0.69 | — | — | |
| SCHEMBL9362081 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5776766-A | Optical resolution of chlorohydrin with microorganism | DAISO CO., LTD. (JP) | 1998-07-07 | — | — | US | disclosed |
| EP-0745681-A2 | Optical resolution of chlorohydrin with microorganism | DAISO CO., LTD. (JP) | 1996-12-04 | — | — | EP | disclosed |