⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL175866 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL9424935 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL5461842 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL2930514 | 0.68 | ALDH1A1 (0.48) | — | |
| SCHEMBL8823554 | 0.67 | TGFBR1 (0.31) | — | |
| SCHEMBL357937 | 0.66 | ALDH1A1 (0.49) | — | |
| SCHEMBL461189 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL8516168 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL2880291 | 0.66 | TGFBR1 (0.32) | — | |
| SCHEMBL6802232 | 0.65 | — | — |
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-5606096-A | REACTING UNSATURATED CARBAMIC ACID DERIVATIVE WITH ALCOHOL RESIDUE IN THE ABSENCE OF A CATALYST | NIPPON PAINT CO., LTD. (JP) | 1997-02-25 | — | — | US | disclosed |
| EP-0556841-B1 | Production of unsaturated carbamic acid derivative | NIPPON PAINT CO LTD (JP) | 1996-05-22 | — | — | EP | disclosed |
| EP-0556841-A2 | Production of unsaturated carbamic acid derivative | Nippon Paint Co., Ltd. (JP) | 1993-08-25 | — | — | EP | disclosed |