⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21616788 | 0.82 | — | — | |
| Biphenyl SCHEMBL936186 | 0.82 | ALDH1A1 (0.60) | — | |
| SCHEMBL17289466 | 0.72 | — | — | |
| Methyl Alcohol SCHEMBL27650985 | 0.72 | ESR1 (0.41) | — | |
| SCHEMBL4376469 | 0.71 | — | — | |
| SCHEMBL30589936 | 0.71 | ALDH1A1 (0.55) | — | |
| SCHEMBL30135412 | 0.71 | ALDH1A1 (0.55) | — | |
| SCHEMBL28053278 | 0.71 | — | — | |
| SCHEMBL166 | 0.71 | — | — | |
| Methoxymethane SCHEMBL28080015 | 0.69 | ESR2 (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-2236524-A1 | Adhesion promoter based on a functionalized macromolecule comprising photoreactive groups | SuSoS AG (CH) | 2010-10-06 | — | — | EP | disclosed |