⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1305334 | 0.87 | ACACB (0.33) | — | |
| SCHEMBL12112105 | 0.87 | ACACB (0.33) | — | |
| SCHEMBL12112093 | 0.87 | ACACB (0.33) | — | |
| SCHEMBL1324424 | 0.84 | — | — | |
| SCHEMBL12112065 | 0.81 | GABRA1 (0.31) | — | |
| SCHEMBL1308611 | 0.79 | — | — | |
| SCHEMBL1305375 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL1306585 | 0.79 | NR1H2 (0.31) | — | |
| SCHEMBL1308149 | 0.79 | ESR1 (0.41) | — | |
| SCHEMBL1305649 | 0.79 | RELA (0.36) | — |
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-8053588-B2 | organosilane compounds used as raw materials for synthesis of organosilicon polymer thin films, having a refractive-index controlling function, a light absorbing function, a light emitting function, and a charge transferring function | KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) | 2011-11-08 | — | — | US | disclosed |
| US-8053588-B2 | organosilane compounds used as raw materials for synthesis of organosilicon polymer thin films, having a refractive-index controlling function, a light absorbing function, a light emitting function, and a charge transferring function | KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) | 2011-11-08 | — | — | US | disclosed |
| US-20080227939-A1 | Organosilane compound and organosilica obtained therefrom | KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) | 2008-09-18 | — | — | US | disclosed |
| US-20080227939-A1 | Organosilane compound and organosilica obtained therefrom | KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) | 2008-09-18 | — | — | US | disclosed |