⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11366764 | 0.97 | TYMS (0.52) | — | |
| SCHEMBL15537598 | 0.92 | TYMS (0.52) | — | |
| Butane SCHEMBL7718897 | 0.91 | LPAR3 (0.52) | — | |
| Phosphonic Acid SCHEMBL9473066 | 0.91 | TYMS (0.46) | — | |
| SCHEMBL23130627 | 0.90 | LPAR3 (0.50) | — | |
| Butane SCHEMBL7716771 | 0.84 | LPAR3 (0.56) | — | |
| SCHEMBL6511678 | 0.83 | — | — | |
| SCHEMBL20050153 | 0.80 | — | — | |
| SCHEMBL24624049 | 0.78 | TSHR (0.41) | — | |
| SCHEMBL24624078 | 0.78 | TSHR (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| US-4299943-A | PRODUCED BY REACTING SILYL DIESTER OF A PENTAVALENT ORGANIC METAL ACID WITH A TETRAVALENT METAL | OCCIDENTAL RESEARCH CORPORATION (US) | 1981-11-10 | — | — | US | disclosed |
| US-4276409-A | USED FOR CHELATING METALLIC IONS | OCCIDENTAL RESEARCH CORPORATION (US) | 1981-06-30 | — | — | US | disclosed |