⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20000024 | 0.98 | — | — | |
| SCHEMBL13156212 | 0.93 | — | — | |
| SCHEMBL5541297 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL27417316 | 0.83 | — | — | |
| SCHEMBL26921074 | 0.83 | — | — | |
| SCHEMBL10919329 | 0.83 | — | — | |
| SCHEMBL30956295 | 0.83 | — | — | |
| SCHEMBL20000018 | 0.83 | TSHR (0.36) | — | |
| SCHEMBL20000020 | 0.83 | — | — | |
| SCHEMBL15977948 | 0.82 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8455599-B2 | Asymmetric low molecular weight siloxanes with one functional group | GELEST TECHNOLOGIES, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| US-20100298591-A1 | ASYMMETRIC LOW MOLECULAR WEIGHT SILOXANES WITH ONE FUNCTIONAL GROUP | GELEST, INC. (US) | 2010-11-25 | — | — | US | disclosed |
| US-20080269429-A1 | LOW MOLECULAR WEIGHT SILOXANES WITH ONE FUNCTIONAL GROUP | GELEST, INC. (US) | 2008-10-30 | — | — | US | disclosed |