⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29085640 | 0.76 | — | — | |
| Ethane SCHEMBL8633342 | 0.74 | — | — | |
| Hexane SCHEMBL8635058 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL7602769 | 0.68 | RET (0.31) | — | |
| SCHEMBL6659310 | 0.65 | CYP19A1 (0.32) | — | |
| SCHEMBL27492992 | 0.65 | CYP19A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL31592075 | 0.64 | CYP19A1 (0.34) | — | |
| SCHEMBL1452467 | 0.64 | HTR2A (0.32) | — | |
| Hydrochloric Acid SCHEMBL5515988 | 0.64 | TP53 (0.31) | — | |
| Fluoride SCHEMBL7639255 | 0.64 | TP53 (0.31) | — |
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-104854150-A | Activator compositions, their preparation, and their use in catalysts | ALBEMARLE CORP | 2015-08-19 | — | — | CN | disclosed |