Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5704256 | 0.79 | — | — | |
| SCHEMBL9723212 | 0.67 | — | — | |
| SCHEMBL11598995 | 0.59 | — | — | |
| SCHEMBL6689307 | 0.57 | — | — | |
| SCHEMBL11676291 | 0.57 | CTSA (0.48) | — | |
| SCHEMBL6048310 | 0.54 | — | — | |
| Zinc Ion SCHEMBL2185870 | 0.52 | CTSA (0.48) | — | |
| Lithium Ion SCHEMBL31314349 | 0.52 | CTSA (0.48) | — | |
| Potassium Ion SCHEMBL7161048 | 0.52 | CTSA (0.48) | — | |
| SCHEMBL30579940 | 0.52 | CTSA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4076630-A | TRIS-HALOALIPHATIC PHOSPHATE WITH A MONO- OR BIS-HALOALKYL PHOSPHORIC ACID ESTER | VELSICOL CHEMICAL CORPORATION (US) | 1978-02-28 | — | — | US | disclosed |