⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL358547 | 0.75 | — | — | |
| SCHEMBL7290346 | 0.72 | KDM4E (0.30) | — | |
| SCHEMBL3025639 | 0.71 | LMNA (0.39) | — | |
| SCHEMBL2046996 | 0.68 | — | — | |
| SCHEMBL1309550 | 0.67 | CA12 (0.35) | — | |
| SCHEMBL1588140 | 0.67 | HPGD (0.36) | — | |
| SCHEMBL1493226 | 0.67 | — | — | |
| SCHEMBL28653976 | 0.66 | — | — | |
| SCHEMBL5263720 | 0.66 | — | — | |
| SCHEMBL6386082 | 0.65 | EPHX1 (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5532399-A | Process for the preparation or organosilicon compounds carrying sulfur-containing organic radicals | WACKER-CHEMIE GMBH (DE) | 1996-07-02 | — | — | US | disclosed |