⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL225684 | 0.80 | TSHR (0.38) | — | |
| Methyl Alcohol SCHEMBL21625742 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL665307 | 0.65 | — | — | |
| SCHEMBL10699351 | 0.65 | PPARA (0.33) | — | |
| SCHEMBL10629039 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL10554569 | 0.61 | — | — | |
| SCHEMBL1659729 | 0.60 | TSHR (0.30) | — | |
| SCHEMBL30373279 | 0.60 | — | — | |
| SCHEMBL5487950 | 0.60 | — | — | |
| SCHEMBL11756306 | 0.59 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160172678-A1 | BINDER FOR NON-AQUEOUS ELECTRICITY STORAGE ELEMENT, AND NON-AQUEOUS ELECTRICITY STORAGE ELEMENT | KYORITSU CHEMICAL & CO., LTD. (JP) | 2016-06-16 | — | — | US | disclosed |
| EP-0928802-A2 | Process for tinting a resin having a large refractivity index and optical material tinted by the process | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1999-07-14 | — | — | EP | disclosed |