⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13043620 | 0.87 | MAPK1 (0.37) | — | |
| SCHEMBL13043639 | 0.75 | PSMD14 (0.30) | — | |
| SCHEMBL13043394 | 0.69 | INSR (0.41) | — | |
| SCHEMBL13043833 | 0.67 | — | — | |
| SCHEMBL12589392 | 0.66 | MYC (0.40) | — | |
| SCHEMBL12725050 | 0.65 | POLB (0.39) | — | |
| SCHEMBL13208380 | 0.64 | ALDH1A1 (0.45) | — | |
| SCHEMBL14700353 | 0.63 | INSR (0.30) | — | |
| SCHEMBL10103983 | 0.62 | NPC1 (0.55) | — | |
| SCHEMBL18088587 | 0.61 | INSR (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1937780-B1 | MIXTURE OF SULFIDE DYES | BASF SE (DE) | 2013-02-13 | — | — | EP | disclosed |