⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21335065 | 0.59 | DAO (0.31) | — | |
| SCHEMBL22428325 | 0.53 | ALDH1A1 (0.31) | — | |
| SCHEMBL21335043 | 0.51 | ALDH1A1 (0.30) | — | |
| SCHEMBL21335045 | 0.49 | DAO (0.39) | — | |
| SCHEMBL21147818 | 0.46 | CA1 (0.41) | — | |
| SCHEMBL21147819 | 0.46 | CA1 (0.41) | — | |
| SCHEMBL29525411 | 0.42 | KDM4E (0.40) | — | |
| SCHEMBL29525891 | 0.42 | KDM4E (0.40) | — | |
| Water SCHEMBL29123856 | 0.39 | KDM4E (0.46) | — | |
| Fluoride SCHEMBL31441110 | 0.33 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4351853-A | 1,2-DIKETONES AS PHOTOINITIATORS | Espe Fabrik Parmazeutischer Praparate G.m.b.H. (DE) | 1982-09-28 | — | — | US | disclosed |