⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8603158 | 1.00 | — | — | |
| SCHEMBL8599601 | 1.00 | — | — | |
| SCHEMBL8601595 | 0.84 | PPOX (0.41) | — | |
| SCHEMBL8602412 | 0.82 | PPOX (0.38) | — | |
| SCHEMBL8600619 | 0.80 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL8599225 | 0.80 | PPOX (0.40) | — | |
| SCHEMBL8603005 | 0.78 | NR1I2 (0.39) | — | |
| SCHEMBL8603664 | 0.77 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL7535311 | 0.77 | NPC1 (0.38) | — | |
| SCHEMBL4593568 | 0.77 | LMNA (0.41) | — |
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 |