⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9188991 | 0.77 | — | — | |
| SCHEMBL17439405 | 0.76 | — | — | |
| SCHEMBL17439445 | 0.74 | — | — | |
| SCHEMBL8987593 | 0.74 | — | — | |
| SCHEMBL7575584 | 0.74 | — | — | |
| SCHEMBL9410853 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL8764406 | 0.74 | — | — | |
| SCHEMBL9840947 | 0.71 | — | — | |
| SCHEMBL28682557 | 0.67 | — | — | |
| SCHEMBL217199 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0401684-B1 | Method for the preparation of organosiloxanes | WACKER CHEMIE GMBH (DE) | 1995-07-26 | — | — | EP | disclosed |
| EP-0624591-A1 | Organosilicon compounds with cage structure | Wacker-Chemie GmbH (DE) | 1994-11-17 | — | — | EP | disclosed |
| US-5011962-A | Process for preparing organosiloxanes | WACKER-CHEMIE GMBH (DE) | 1991-04-30 | — | — | US | disclosed |
| EP-0401684-A2 | Method for the preparation of organosiloxanes | WACKER-CHEMIE GMBH (DE) | 1990-12-12 | — | — | EP | disclosed |