⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5136632 | 0.84 | — | — | |
| Styrene SCHEMBL21315831 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL27744253 | 0.79 | — | — | |
| SCHEMBL677943 | 0.78 | — | — | |
| SCHEMBL16932875 | 0.77 | — | — | |
| Butadiene SCHEMBL28277822 | 0.75 | — | — | |
| SCHEMBL9721249 | 0.75 | — | — | |
| SCHEMBL1959578 | 0.75 | — | — | |
| Styrene SCHEMBL18042449 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL49113 | 0.72 | — | — |
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-2760939-B1 | CURABLE SILICONE COMPOSITION AND CURED PRODUCT THEREOF | DOW CORNING TORAY CO LTD (JP) | 2015-10-21 | — | — | EP | disclosed |
| EP-2760939-A1 | CURABLE SILICONE COMPOSITION AND CURED PRODUCT THEREOF | Dow Corning Toray Co., Ltd. (JP) | 2014-08-06 | — | — | EP | disclosed |
| WO-2013047898-A1 | CURABLE SILICONE COMPOSITION AND CURED PRODUCT THEREOF | DOW CORNING TORAY CO., LTD. (JP) | 2013-04-04 | — | — | WO | disclosed |