⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL726042 | 0.74 | — | — | |
| SCHEMBL2375897 | 0.73 | — | — | |
| Hydrogen Sulfide SCHEMBL27559665 | 0.71 | — | — | |
| Bromide SCHEMBL28224555 | 0.71 | — | — | |
| SCHEMBL14995091 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL23927900 | 0.71 | — | — | |
| SCHEMBL31547836 | 0.71 | — | — | |
| SCHEMBL148792 | 0.69 | — | — | |
| SCHEMBL6050024 | 0.67 | — | — | |
| SCHEMBL28277572 | 0.66 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1630202-B1 | One-part organopolysiloxane gel compositions, their preparation and use | SHINETSU CHEMICAL CO (JP) | 2012-08-01 | — | — | EP | disclosed |
| EP-1630202-A2 | One-part organopolysiloxane gel compositions, their preparation and use | Shin-Etsu Chemical Co., Ltd. (JP) | 2006-03-01 | — | — | EP | disclosed |
| US-4355121-A | Heat strength curable silicone rubber compositions | GENERAL ELECTRIC COMPANY (US) | 1982-10-19 | — | — | US | disclosed |