⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL742450 | 0.73 | — | — | |
| SCHEMBL11042590 | 0.71 | — | — | |
| SCHEMBL8764703 | 0.70 | — | — | |
| SCHEMBL10813940 | 0.68 | — | — | |
| SCHEMBL3889899 | 0.68 | CYP1A2 (0.33) | — | |
| SCHEMBL3297209 | 0.67 | — | — | |
| SCHEMBL15915221 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL3887312 | 0.64 | MEN1 (0.33) | — | |
| SCHEMBL15915718 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL15915006 | 0.61 | MEN1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0798303-A1 | Acetylenic alcohols and ethers as accelerators for hydrosilation of siloxyhydrides | DOW CORNING CORPORATION (US) | 1997-10-01 | — | — | EP | disclosed |
| US-5623083-A | IN PRESENCE OF A PLATINUM CATALYST | DOW CORNING CORPORATION (US) | 1997-04-22 | — | — | US | disclosed |