⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL386429 | 0.79 | MEN1 (0.35) | — | |
| SCHEMBL18976634 | 0.79 | MEN1 (0.35) | — | |
| SCHEMBL19033169 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL14538923 | 0.75 | — | — | |
| SCHEMBL17472527 | 0.70 | MEN1 (0.34) | — | |
| SCHEMBL22826606 | 0.70 | — | — | |
| SCHEMBL19817582 | 0.70 | MEN1 (0.34) | — | |
| SCHEMBL8009197 | 0.70 | — | — | |
| SCHEMBL12156792 | 0.67 | MEN1 (0.33) | — | |
| SCHEMBL13047942 | 0.67 | MEN1 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2086929-B1 | ALLYLIC POLYSULFANES | ECOSPRAY LTD (GB) | 2016-03-30 | — | — | EP | claimed |
| US-8101802-B2 | Allylic polysulfanes | ECOSPRAY LIMITED (GB) | 2012-01-24 | — | — | US | claimed |
| US-20170362219-A1 | SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-12-21 | — | — | US | disclosed |
| EP-2086929-B1 | ALLYLIC POLYSULFANES | ECOSPRAY LTD (GB) | 2016-03-30 | — | — | EP | disclosed |
| US-8101802-B2 | Allylic polysulfanes | ECOSPRAY LIMITED (GB) | 2012-01-24 | — | — | US | disclosed |
| US-20100274037-A1 | ALLYLIC POLYSULFANES | ECOSPRAY LIMITED (GB) | 2010-10-28 | — | — | US | disclosed |