⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11552834 | 0.82 | KDM1A (0.36) | — | |
| SCHEMBL8601376 | 0.78 | HPGD (0.37) | — | |
| SCHEMBL17651437 | 0.78 | CD44 (0.33) | — | |
| SCHEMBL17651060 | 0.76 | ABCB11 (0.31) | — | |
| SCHEMBL9419230 | 0.75 | POLB (0.33) | — | |
| SCHEMBL8603166 | 0.74 | — | — | |
| SCHEMBL9419231 | 0.74 | — | — | |
| SCHEMBL27303133 | 0.74 | — | — | |
| SCHEMBL7535311 | 0.74 | NPC1 (0.38) | — | |
| SCHEMBL1399737 | 0.73 | ABCB11 (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 4 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 |
| US-5039331-A | Condensed heterocyclic derivatives and herbicides | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1991-08-13 | — | — | US | disclosed |
| EP-0304920-A2 | Condensed heterocyclic derivatives, process for their production and herbicides | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1989-03-01 | — | — | EP | disclosed |