⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11994070 | 0.75 | — | — | |
| Methoxyacetic Acid SCHEMBL28141841 | 0.73 | TSHR (0.41) | — | |
| Trimethylammonium SCHEMBL9015853 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL31476759 | 0.70 | HDAC6 (0.35) | — | |
| SCHEMBL7720623 | 0.69 | TSHR (0.33) | — | |
| Trimethylammonium SCHEMBL28401653 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL8788169 | 0.69 | CHRNB2 (0.50) | — | |
| SCHEMBL25332181 | 0.67 | SMN1; SMN2 (0.40) | — | |
| Trimethylammonium SCHEMBL28399560 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL8788240 | 0.67 | CHRNB2 (0.48) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10875822-B2 | Directed β-C(sp3)#H iodination and arylation of ketones | THE SCRIPPS RESEARCH INSTITUTE (US) | 2020-12-29 | — | — | US | claimed |
| US-20200255363-A1 | Directed Beta-C(sp3)–H Iodination and Arylation of Ketones | THE SCRIPPS RESEARCH INSTITUTE | 2020-08-13 | — | — | US | claimed |
| CN-111212824-A | Orientation of the ketone β -C (sp)3) -H iodination and arylation | 斯克利普斯研究院 | 2020-05-29 | — | — | CN | claimed |
| WO-2019036349-A1 | DIRECTED B-C(SP3)-H IODINATION AND ARYLATION OF KETONES | THE SCRIPPS RESEARCH INSTITUTE (US) | 2019-02-21 | — | — | WO | claimed |
| CN-111212824-B | Directed beta-C (sp) of ketones 3 ) -H iodination and arylation | 斯克利普斯研究院 | 2022-08-16 | — | — | CN | disclosed |
| US-10875822-B2 | Directed β-C(sp3)#H iodination and arylation of ketones | THE SCRIPPS RESEARCH INSTITUTE (US) | 2020-12-29 | — | — | US | disclosed |
| US-20200255363-A1 | Directed Beta-C(sp3)–H Iodination and Arylation of Ketones | THE SCRIPPS RESEARCH INSTITUTE | 2020-08-13 | — | — | US | disclosed |
| CN-111212824-A | Orientation of the ketone β -C (sp)3) -H iodination and arylation | 斯克利普斯研究院 | 2020-05-29 | — | — | CN | disclosed |
| WO-2019036349-A1 | DIRECTED B-C(SP3)-H IODINATION AND ARYLATION OF KETONES | THE SCRIPPS RESEARCH INSTITUTE (US) | 2019-02-21 | — | — | WO | disclosed |