⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7079749 | 1.00 | — | — | |
| Bicarbonate SCHEMBL29185359 | 0.91 | GPR174 (0.30) | — | |
| SCHEMBL31514259 | 0.79 | HSD17B10 (0.30) | — | |
| SCHEMBL304934 | 0.78 | — | — | |
| SCHEMBL11814781 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL11814776 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL11107654 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL9186635 | 0.75 | — | — | |
| SCHEMBL2955965 | 0.75 | HSD17B10 (0.35) | — | |
| SCHEMBL11306723 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0499233-B1 | Organopentasiloxane and method for its preparation | DOW CORNING TORAY SILICONE (JP) | 1995-09-27 | — | — | EP | disclosed |
| US-5183912-A | ORGANOPENTASILOXANE AND METHOD FOR ITS PREPARATION | DOW CORNING TORAY SILICONE CO., LTD. (JP) | 1993-02-02 | — | — | US | disclosed |
| EP-0499233-A2 | Organopentasiloxane and method for its preparation | Dow Corning Toray Silicone Company, Limited (JP) | 1992-08-19 | — | — | EP | disclosed |