⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7671433 | 0.92 | — | — | |
| SCHEMBL11777385 | 0.80 | DNM1 (0.50) | — | |
| SCHEMBL1162933 | 0.80 | — | — | |
| SCHEMBL3371704 | 0.78 | — | — | |
| SCHEMBL5424877 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL6662074 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL12854156 | 0.76 | — | — | |
| SCHEMBL11880617 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL10866350 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL7931995 | 0.76 | TSHR (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130142739-A1 | PROCESS FOR THE SYNTHESIS OF ISOTHIOCYANATES AND DERIVATIVES THEREOF AND USES OF SAME | AURIGA INTERNATIONAL (BE) | 2013-06-06 | — | — | US | disclosed |
| EP-2595953-A1 | PROCESS FOR THE SYNTHESIS OF ISOTHIOCYANATES AND DERIVATIVES THEREOF AND USES OF SAME | Auriga International (BE) | 2013-05-29 | — | — | EP | disclosed |
| CN-103025710-A | Process for the synthesis of isothiocyanates and derivatives thereof and uses of same | AURIGA INTERNAT | 2013-04-03 | — | — | CN | disclosed |
| WO-2012010644-A1 | PROCESS FOR THE SYNTHESIS OF ISOTHIOCYANATES AND DERIVATIVES THEREOF AND USES OF SAME | AURIGA INTERNATIONAL (BE) | 2012-01-26 | — | — | WO | disclosed |