⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21283700 | 0.79 | EPHX1 (0.30) | — | |
| SCHEMBL22562701 | 0.73 | — | — | |
| SCHEMBL22562656 | 0.70 | — | — | |
| SCHEMBL22562657 | 0.70 | — | — | |
| SCHEMBL21422562 | 0.68 | EPHX1 (0.33) | — | |
| SCHEMBL21283665 | 0.68 | KDM4E (0.32) | — | |
| SCHEMBL21283672 | 0.68 | POLB (0.33) | — | |
| SCHEMBL21283702 | 0.66 | EPHX1 (0.30) | — | |
| SCHEMBL21283701 | 0.66 | EPHX1 (0.30) | — | |
| SCHEMBL22562706 | 0.66 | EPHX1 (0.30) | — |
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-3530664-B1 | DIOL, PROCESS FOR PRODUCING DIOL, DI(METH)ACRYLATE, AND PROCESS FOR PRODUCING DI(METH)ACRYLATE | MITSUBISHI GAS CHEMICAL CO (JP) | 2020-11-25 | — | — | EP | disclosed |