⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6907077 | 0.79 | — | — | |
| SCHEMBL8924823 | 0.76 | CYP2D6 (0.32) | — | |
| SCHEMBL14150083 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL4208343 | 0.73 | — | — | |
| SCHEMBL4450431 | 0.71 | — | — | |
| SCHEMBL8427574 | 0.70 | — | — | |
| SCHEMBL16968095 | 0.69 | CYP2C19 (0.32) | — | |
| SCHEMBL7289601 | 0.69 | — | — | |
| SCHEMBL7051974 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL1776481 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0457332-B1 | Polymerizable carbonates having ethylenic and acetylenic functions | NIPPON PAINT CO LTD (JP) | 1994-10-26 | — | — | EP | disclosed |
| US-5194655-A | POLYMERIZABLE CARBONATES HAVING ETHYLENIC AND ACETYLENIC FUNCTIONS | NIPPON PAINT COMPANY, LIMITED (JP) | 1993-03-16 | — | — | US | disclosed |
| EP-0457332-A1 | Polymerizable carbonates having ethylenic and acetylenic functions | NIPPON PAINT CO., LTD. (JP) | 1991-11-21 | — | — | EP | disclosed |