⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8906125 | 0.97 | ESR1 (0.60) | — | |
| SCHEMBL38234 | 0.93 | — | — | |
| SCHEMBL8905793 | 0.89 | ESR1 (0.50) | — | |
| SCHEMBL4983850 | 0.89 | ESR1 (0.67) | — | |
| SCHEMBL38044 | 0.84 | — | — | |
| SCHEMBL20985200 | 0.81 | ESR1 (0.56) | — | |
| SCHEMBL63306 | 0.81 | ESR1 (0.56) | — | |
| SCHEMBL11225131 | 0.80 | — | — | |
| SCHEMBL4526267 | 0.79 | ESR1 (0.48) | — | |
| SCHEMBL10362326 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8642718-B2 | Curable composition | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2014-02-04 | — | — | US | disclosed |
| US-20090018308-A1 | Curable Composition | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2009-01-15 | — | — | US | disclosed |
| EP-1882713-A1 | CURABLE COMPOSITION | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2008-01-30 | — | — | EP | disclosed |