⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5679775 | 0.86 | — | — | |
| SCHEMBL11728019 | 0.77 | — | — | |
| Trimethylammonium SCHEMBL1302481 | 0.74 | — | — | |
| Trimethylammonium SCHEMBL221179 | 0.74 | HSD17B10 (0.38) | — | |
| Trimethylammonium SCHEMBL1302803 | 0.74 | — | — | |
| Trimethylammonium SCHEMBL1303377 | 0.74 | — | — | |
| SCHEMBL10535413 | 0.74 | LMNA (0.38) | — | |
| SCHEMBL2608294 | 0.74 | — | — | |
| SCHEMBL3871830 | 0.72 | — | — | |
| SCHEMBL2793481 | 0.72 | — | — |
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-0505161-B1 | Photosensitive polymer composition | SHINETSU CHEMICAL CO (JP) | 1999-06-16 | — | — | EP | claimed |
| EP-0505161-B1 | Photosensitive polymer composition | SHINETSU CHEMICAL CO (JP) | 1999-06-16 | — | — | EP | disclosed |
| EP-0505161-A1 | Photosensitive polymer composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1992-09-23 | — | — | EP | disclosed |