⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9849407 | 0.92 | OPRM1 (0.44) | — | |
| SCHEMBL9849183 | 0.90 | OPRM1 (0.42) | — | |
| SCHEMBL9544521 | 0.78 | EPHX1 (0.34) | — | |
| SCHEMBL28252365 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL13762145 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL7171720 | 0.72 | THRB (0.41) | — | |
| SCHEMBL51692 | 0.70 | — | — | |
| SCHEMBL10987980 | 0.70 | DNM1 (0.33) | — | |
| SCHEMBL12611893 | 0.70 | THRB (0.40) | — | |
| SCHEMBL11844847 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0453275-A1 | Process for producing epoxy compound | NIPPON OIL CO. LTD. (JP) | 1991-10-23 | — | — | EP | claimed |
| EP-0453275-A1 | Process for producing epoxy compound | NIPPON OIL CO. LTD. (JP) | 1991-10-23 | — | — | EP | disclosed |