⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9849183 | 0.85 | OPRM1 (0.42) | — | |
| SCHEMBL9849229 | 0.83 | — | — | |
| SCHEMBL3885291 | 0.76 | — | — | |
| SCHEMBL21038287 | 0.76 | — | — | |
| SCHEMBL11093244 | 0.69 | — | — | |
| SCHEMBL9849473 | 0.69 | — | — | |
| SCHEMBL24492731 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL13351446 | 0.67 | — | — | |
| SCHEMBL10598521 | 0.67 | — | — | |
| SCHEMBL10597472 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0453275-A1 | Process for producing epoxy compound | NIPPON OIL CO. LTD. (JP) | 1991-10-23 | — | — | EP | claimed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| EP-0453275-A1 | Process for producing epoxy compound | NIPPON OIL CO. LTD. (JP) | 1991-10-23 | — | — | EP | disclosed |