⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL113928 | 0.73 | — | — | |
| SCHEMBL3586976 | 0.67 | — | — | |
| SCHEMBL4620329 | 0.64 | — | — | |
| SCHEMBL4655267 | 0.64 | — | — | |
| SCHEMBL28822485 | 0.64 | — | — | |
| SCHEMBL1983801 | 0.64 | — | — | |
| 2,2,3-Trimethylbutane SCHEMBL122284 | 0.61 | — | — | |
| SCHEMBL7618 | 0.61 | — | — | |
| SCHEMBL10876137 | 0.61 | ALDH1A1 (0.62) | — | |
| SCHEMBL1193514 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5124241-A | Containing two different cyan couplers; colorfast, nonstaining | FUJI PHOTO FILM CO., LTD. (JP) | 1992-06-23 | — | — | US | disclosed |
| EP-0086826-A4 | ALPHA-BRANCHED ALKYLTHIOPHOSPHATE PESTICIDES. | FMC CORP (US) | 1983-12-23 | — | — | EP | disclosed |
| EP-0086826-A1 | ALPHA-BRANCHED ALKYLTHIOPHOSPHATE PESTICIDES. | FMC CORP (US) | 1983-08-31 | — | — | EP | disclosed |
| WO-1983000870-A1 | ALPHA-BRANCHED ALKYLTHIOPHOSPHATE PESTICIDES | FMC CORP (US) | 1983-03-17 | — | — | WO | disclosed |