⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9407525 | 0.89 | TSHR (0.33) | — | |
| SCHEMBL188072 | 0.83 | TSHR (0.50) | — | |
| SCHEMBL10045182 | 0.82 | TSHR (0.40) | — | |
| SCHEMBL7321740 | 0.82 | — | — | |
| SCHEMBL1634844 | 0.82 | — | — | |
| SCHEMBL758093 | 0.80 | — | — | |
| SCHEMBL2713799 | 0.80 | — | — | |
| SCHEMBL9407582 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL9053157 | 0.78 | TRPV3 (0.36) | — | |
| SCHEMBL7962706 | 0.78 | TSHR (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105658306-A | Hybrid solvent formulations for total organic sulfur removal and total acidic gas removal | 陶氏环球技术有限责任公司 | 2016-06-08 | — | — | CN | claimed |
| US-4476044-A | Surfactant product | HENKEL CORPORATION (US) | 1984-10-09 | — | — | US | claimed |
| CN-105658306-A | Hybrid solvent formulations for total organic sulfur removal and total acidic gas removal | 陶氏环球技术有限责任公司 | 2016-06-08 | — | — | CN | disclosed |