⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2927777 | 0.69 | — | — | |
| SCHEMBL10928575 | 0.66 | — | — | |
| SCHEMBL5144205 | 0.66 | ALDH1A1 (0.37) | — | |
| SCHEMBL131862 | 0.64 | — | — | |
| SCHEMBL185680 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL1949287 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL4451202 | 0.62 | — | — | |
| SCHEMBL20211349 | 0.61 | ALDH1A1 (0.40) | — | |
| SCHEMBL22796693 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL3320762 | 0.61 | TDP1 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1970419-B1 | COATING MATERIAL | MITSUI CHEMICALS INC (JP) | 2018-11-14 | — | — | EP | disclosed |
| US-9133317-B2 | Coating material | MITSUI CHEMICALS, INC. (JP) | 2015-09-15 | — | — | US | disclosed |
| US-20090162679-A1 | Coating Material | MITSUI CHEMICALS, INC. (JP) | 2009-06-25 | — | — | US | disclosed |
| EP-1970419-A1 | COATING MATERIAL | Mitsui Chemicals, Inc. (JP) | 2008-09-17 | — | — | EP | disclosed |