⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3623227 | 0.83 | — | — | |
| SCHEMBL1842442 | 0.82 | DNM1 (0.35) | — | |
| SCHEMBL472189 | 0.79 | — | — | |
| SCHEMBL20681019 | 0.75 | — | — | |
| SCHEMBL5425853 | 0.74 | — | — | |
| SCHEMBL1313968 | 0.72 | HSD17B10 (0.32) | — | |
| SCHEMBL706280 | 0.70 | HSD17B10 (0.35) | — | |
| SCHEMBL6229160 | 0.70 | — | — | |
| SCHEMBL29240650 | 0.70 | — | — | |
| SCHEMBL28113965 | 0.70 | — | — |
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-7423165-B2 | bifunctional polysulfidic organosilanes used to improve the reinforcing capability of fillers and as curing agents for natural or synthetic rubbers | DEGUSSA AG (DE) | 2008-09-09 | — | — | US | disclosed |
| EP-1491547-B1 | Organosilicon Compounds | DEGUSSA (DE) | 2005-12-07 | — | — | EP | disclosed |
| US-20040266968-A1 | bifunctional polysulfidic organosilanes used to improve the reinforcing capability of fillers and as curing agents for natural or synthetic rubbers | EVONIK OPERATIONS GMBH (DE) | 2004-12-30 | — | — | US | disclosed |
| EP-1491547-A1 | Organosilicon Compounds | Degussa AG (DE) | 2004-12-29 | — | — | EP | disclosed |