⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8459930 | 0.90 | — | — | |
| SCHEMBL8464365 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL11274922 | 0.82 | GPR3 (0.36) | — | |
| SCHEMBL11278815 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL7931553 | 0.78 | — | — | |
| SCHEMBL8463096 | 0.78 | SOS1 (0.42) | — | |
| SCHEMBL10598726 | 0.77 | HSP90AA1 (0.41) | — | |
| SCHEMBL7931016 | 0.75 | EPAS1 (0.42) | — | |
| SCHEMBL8464006 | 0.74 | PPARG (0.38) | — | |
| SCHEMBL8463274 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5981789-A | CHLORODENITRATING AROMATIC COMPOUNDS USING LESS CHLORINATING AGENT AND LOWER TEMPERATURES, THEN RECYCLING THE PRODUCT MIXTURE TO INCREASE THE YIELD | OCCIDENTAL CHEMICAL CORPORATION (US) | 1999-11-09 | — | — | US | disclosed |
| US-4704483-A | FLUORINATION WITH POTASSIUM FLUORIDE | OCCIDENTAL CHEMICAL CORPORATION (US) | 1987-11-03 | — | — | US | disclosed |
| US-4582948-A | VAPOR PHASE CHLORO-DENITRATION REACTION | OCCIDENTAL CHEMICAL CORPORATION (US) | 1986-04-15 | — | — | US | disclosed |
| EP-0159388-A2 | Preparation of nuclear chlorinated compounds | OCCIDENTAL CHEMICAL CORPORATION (US) | 1985-10-30 | — | — | EP | disclosed |
| US-4470930-A | Preparation of nuclear chlorinated aromatic compounds | OCCIDENTAL CHEMICAL CORPORATION (US) | 1984-09-11 | — | — | US | disclosed |