⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5850837 | 0.78 | CTSA (0.38) | — | |
| SCHEMBL6049700 | 0.75 | — | — | |
| SCHEMBL316875 | 0.75 | CTSA (0.36) | — | |
| SCHEMBL784167 | 0.75 | — | — | |
| SCHEMBL11224371 | 0.74 | — | — | |
| SCHEMBL11367484 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL10803145 | 0.73 | CTSA (0.35) | — | |
| SCHEMBL11863035 | 0.73 | CTSA (0.35) | — | |
| SCHEMBL11522685 | 0.73 | — | — | |
| SCHEMBL9003255 | 0.71 | METAP1 (0.36) | — |
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-5948930-A | Process for preparing O-alkyl, O-alkylphosphorochloridothioates | BAYER CORPORATION (US) | 1999-09-07 | — | — | US | disclosed |
| EP-0097451-A1 | 2-Alkyl-5-pyrimidines | THE DOW CHEMICAL COMPANY (US) | 1984-01-04 | — | — | EP | disclosed |
| US-4000269-A | ACARICIDES | AMERICAN CYANAMID COMPANY (US) | 1976-12-28 | — | — | US | disclosed |