⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8602678 | 0.94 | CA12 (0.32) | — | |
| SCHEMBL8485879 | 0.80 | CA12 (0.34) | — | |
| SCHEMBL9770884 | 0.79 | — | — | |
| SCHEMBL8603166 | 0.78 | — | — | |
| SCHEMBL9450443 | 0.78 | SLC6A4 (0.31) | — | |
| SCHEMBL8603529 | 0.75 | — | — | |
| SCHEMBL8602612 | 0.75 | — | — | |
| SCHEMBL8598905 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL8603097 | 0.74 | — | — | |
| SCHEMBL11552834 | 0.73 | KDM1A (0.36) | — |
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-0626370-B1 | Process for producing aromatic isothiocyanate derivatives | SUMITOMO CHEMICAL CO (JP) | 1998-02-11 | — | — | EP | disclosed |
| EP-0626370-A1 | Process for producing aromatic isothiocyanate derivatives | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1994-11-30 | — | — | EP | disclosed |