⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL545869 | 0.77 | MAOB (0.37) | — | |
| SCHEMBL9854333 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL7790897 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL2220167 | 0.74 | ALDH1A1 (0.50) | — | |
| Bromide SCHEMBL15251935 | 0.72 | ALDH1A1 (0.48) | — | |
| Iodide SCHEMBL11520712 | 0.72 | ALDH1A1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL27895267 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL6286508 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL21723685 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL30390780 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6010824-A | Photosensitive resin composition containing a triazine compound and a pre-sensitized plate using the same, and photosensitive resin composition containing acridine and triazine compounds and a color filter and a pre-sensitized plate using the same | TOKYO OHKA KOGYO CO., LTD. (JP) | 2000-01-04 | — | — | US | disclosed |