⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3967924 | 0.86 | TSHR (0.35) | — | |
| SCHEMBL15915062 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL7594245 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL15915764 | 0.72 | — | — | |
| SCHEMBL15142390 | 0.70 | — | — | |
| SCHEMBL11421294 | 0.70 | — | — | |
| SCHEMBL38395 | 0.70 | — | — | |
| SCHEMBL7593032 | 0.69 | — | — | |
| SCHEMBL15142570 | 0.69 | — | — | |
| SCHEMBL20836758 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9588084-B2 | Device for detecting gases and/or volatile organic compounds (VOC) | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-03-07 | — | — | US | disclosed |
| EP-0894802-B1 | Silane compound | NIPPON MITSUBISHI OIL CORP (JP) | 2002-11-06 | — | — | EP | disclosed |
| US-6150549-A | Silane compound | NIPPON MITSUBISHI OIL CORPORATION (JP) | 2000-11-21 | — | — | US | disclosed |
| EP-0894802-A2 | Silane compound | NIPPON OIL CO. LTD. (JP) | 1999-02-03 | — | — | EP | disclosed |