⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15768107 | 0.81 | CYP1A2 (0.33) | — | |
| Phosphonic Acid SCHEMBL28552073 | 0.75 | — | — | |
| SCHEMBL461684 | 0.71 | — | — | |
| SCHEMBL6551236 | 0.71 | CYP1A1 (0.33) | — | |
| SCHEMBL11080714 | 0.67 | — | — | |
| Phosphonic Acid SCHEMBL28911452 | 0.66 | — | — | |
| Sulfuric Acid SCHEMBL9689214 | 0.65 | LMNA (0.31) | — | |
| Sulfuric Acid SCHEMBL7193359 | 0.64 | LMNA (0.30) | — | |
| SCHEMBL3262722 | 0.63 | KCNH2 (0.37) | — | |
| SCHEMBL1878428 | 0.63 | KCNH2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105705533-A | Method of manufacturing heat resistant resin, heat resistant resin, and heat resistant ABS resin composition | LG化学株式会社 | 2016-06-22 | — | — | CN | disclosed |