⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL622178 | 0.86 | — | — | |
| SCHEMBL31546187 | 0.77 | — | — | |
| SCHEMBL1395058 | 0.77 | PDK1 (0.39) | — | |
| SCHEMBL2846269 | 0.76 | PDK1 (0.38) | — | |
| SCHEMBL28900791 | 0.76 | — | — | |
| SCHEMBL29013287 | 0.75 | — | — | |
| SCHEMBL8832406 | 0.75 | — | — | |
| SCHEMBL11802868 | 0.73 | — | — | |
| Tetrahydrofuran SCHEMBL6278435 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL10457629 | 0.71 | CHRM2 (0.34) | — |
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-0416659-B1 | Method for the production of particulate polymers | DAI ICHI KOGYO SEIYAKU CO LTD (JP) | 1996-08-21 | — | — | EP | disclosed |
| US-5041467-A | From isocyanate and hydroxy group containing surfactant | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 1991-08-20 | — | — | US | disclosed |