⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24066399 | 0.93 | — | — | |
| SCHEMBL13225470 | 0.80 | — | — | |
| SCHEMBL14140085 | 0.80 | — | — | |
| SCHEMBL13762493 | 0.78 | GLA (0.37) | — | |
| SCHEMBL12839634 | 0.76 | ESR1 (0.33) | — | |
| SCHEMBL14140740 | 0.75 | — | — | |
| SCHEMBL16207348 | 0.74 | MAPK1 (0.36) | — | |
| SCHEMBL19085374 | 0.70 | — | — | |
| SCHEMBL13225469 | 0.70 | ESR1 (0.33) | — | |
| SCHEMBL22681486 | 0.70 | CYP1A2 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1384733-B1 | Vinyl compound and cured product thereof | MITSUBISHI GAS CHEMICAL CO (JP) | 2007-04-25 | — | — | EP | disclosed |
| US-7193030-B2 | Acid anhydride and polyimide using the same | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2007-03-20 | — | — | US | disclosed |