⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24796261 | 0.74 | — | — | |
| SCHEMBL10133962 | 0.73 | — | — | |
| SCHEMBL874920 | 0.71 | ALOX15 (0.31) | — | |
| SCHEMBL23940118 | 0.66 | — | — | |
| SCHEMBL21383887 | 0.63 | ALOX15 (0.31) | — | |
| SCHEMBL4079827 | 0.63 | KEAP1 (0.32) | — | |
| SCHEMBL14651477 | 0.61 | — | — | |
| SCHEMBL471725 | 0.59 | ALOX15 (0.41) | — | |
| SCHEMBL18685376 | 0.58 | ALOX15 (0.31) | — | |
| SCHEMBL21681741 | 0.56 | ALOX15 (0.38) | — |
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-2407447-B1 | METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER | TOKYO UNIV OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) | 2018-04-18 | — | — | EP | disclosed |