⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24380 | 0.97 | — | — | |
| Piperazine SCHEMBL28114722 | 0.94 | HIF1A (0.35) | — | |
| Hydrochloric Acid SCHEMBL7468053 | 0.94 | ALDH1A1 (0.32) | — | |
| SCHEMBL17085839 | 0.92 | HIF1A (0.33) | — | |
| SCHEMBL21936163 | 0.87 | — | — | |
| SCHEMBL239053 | 0.80 | — | — | |
| SCHEMBL29110713 | 0.79 | ADRB1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL4996657 | 0.78 | — | — | |
| Pyrimidine SCHEMBL29201194 | 0.78 | PLD1 (0.35) | — | |
| Pyridine SCHEMBL28202857 | 0.78 | PLD1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101497630-B | Phosphoric acrylic ester monomer, hyperbranched polymer flame retardant and preparation thereof | ANHUI HENGYUAN CHEMICAL CO LTD | 2011-10-26 | — | — | CN | disclosed |
| CN-101497630-A | Phosphoric acrylic ester monomer, hyperbranched polymer flame retardant and preparation thereof | ANHUI HENGYUAN CHEMICAL CO LTD (CN) | 2009-08-05 | — | — | CN | disclosed |