⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3192443 | 0.79 | — | — | |
| SCHEMBL19311871 | 0.72 | — | — | |
| SCHEMBL8990216 | 0.70 | — | — | |
| SCHEMBL10948159 | 0.61 | — | — | |
| SCHEMBL17425133 | 0.61 | — | — | |
| SCHEMBL15582669 | 0.61 | — | — | |
| SCHEMBL15926696 | 0.61 | — | — | |
| SCHEMBL3277784 | 0.61 | — | — | |
| SCHEMBL2399770 | 0.61 | — | — | |
| SCHEMBL28273526 | 0.59 | — | — |
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-3214071-A1 | ISOTHIOCYANATE COMPOSITION | Asahi Kasei Chemicals Corporation (JP) | 2017-09-06 | — | — | EP | disclosed |
| EP-2966060-A1 | ISOTHIOCYANATE PRODUCTION METHOD, COMPOSITION FOR TRANSPORTING AND STORING N-SUBSTITUTED O-SUBSTITUTED THIOCARBAMATE, AND ISOTHIOCYANATE COMPOSITION | Asahi Kasei Chemicals Corporation (JP) | 2016-01-13 | — | — | EP | disclosed |