⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3702868 | 0.84 | — | — | |
| SCHEMBL3699861 | 0.81 | KMT2A (0.33) | — | |
| SCHEMBL935521 | 0.76 | SLC6A2 (0.31) | — | |
| SCHEMBL2116575 | 0.75 | SIGMAR1 (0.36) | — | |
| SCHEMBL9403748 | 0.73 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL935538 | 0.70 | SLC6A2 (0.32) | — | |
| SCHEMBL1229306 | 0.70 | CXCR4 (0.42) | — | |
| SCHEMBL28982413 | 0.68 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL542927 | 0.68 | SIGMAR1 (0.43) | — | |
| SCHEMBL28970037 | 0.67 | SLC6A4 (0.32) | — |
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-8357755-B2 | Cross-linkable organosilicon-based compositions | WACKER CHEMIE AG (DE) | 2013-01-22 | — | — | US | disclosed |
| US-20120123048-A1 | CROSS-LINKABLE ORGANOSILICON-BASED COMPOSITIONS | WACKER CHEMIE AG (DE) | 2012-05-17 | — | — | US | disclosed |