⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5552345 | 0.77 | — | — | |
| SCHEMBL4344017 | 0.75 | — | — | |
| SCHEMBL872785 | 0.74 | — | — | |
| SCHEMBL1694301 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL8679749 | 0.71 | — | — | |
| SCHEMBL13041911 | 0.70 | — | — | |
| SCHEMBL3969057 | 0.70 | — | — | |
| SCHEMBL18585176 | 0.69 | — | — | |
| Biphenyl SCHEMBL2928316 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL4233017 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110098420-A1 | CURABLE POLYSILOXANE COMPOSITION, AND POLYSILOXANE CURED PRODUCT, OPTICAL MEMBER, MEMBER FOR AEROSPACE INDUSTRY, SEMICONDUCTOR LIGHT-EMITTING DEVICE, ILLUMINATING DEVICE AND IMAGE DISPLAY DEVICE USING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2011-04-28 | — | — | US | disclosed |
| EP-2270100-A1 | CURABLE POLYSILOXANE COMPOSITION, AND POLYSILOXANE CURED PRODUCT, OPTICAL MEMBER, MEMBER FOR AEROSPACE INDUSTRY, SEMICONDUCTOR LIGHT EMITTING DEVICE, LIGHTING SYSTEM, AND IMAGE DISPLAY DEVICE USING THE CURABLE POLYSILOXANE COMPOSITION | Mitsubishi Chemical Corporation (JP) | 2011-01-05 | — | — | EP | disclosed |