⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27481422 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL15342 | 0.87 | — | — | |
| Tetramethylammonium Ion SCHEMBL23701656 | 0.82 | CHRNB2 (0.44) | — | |
| SCHEMBL3432651 | 0.80 | — | — | |
| SCHEMBL504312 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL7066020 | 0.80 | — | — | |
| SCHEMBL6135760 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL20513496 | 0.80 | — | — | |
| SCHEMBL22973418 | 0.80 | — | — | |
| SCHEMBL2221497 | 0.80 | — | — |
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-0508490-B1 | Process for preparing organopolysiloxanes | WACKER CHEMIE GMBH (DE) | 1995-03-22 | — | — | EP | claimed |
| EP-0508490-A1 | Process for preparing organopolysiloxanes | WACKER-CHEMIE GMBH (DE) | 1992-10-14 | — | — | EP | claimed |
| US-20110218300-A1 | PROCESS TO REMOVE SILANOL FROM THE PREPARATION OF A MODIFIED POLYMER | TRINSEO EUROPE GMBH (CH) | 2011-09-08 | — | — | US | disclosed |
| EP-2358762-A1 | PROCESS TO REMOVE SILANOL FROM THE PREPARATION OF A MODIFIED POLYMER | Styron Europe GmbH (CH) | 2011-08-24 | — | — | EP | disclosed |