⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11612164 | 0.65 | LMNA (0.53) | — | |
| SCHEMBL28457000 | 0.64 | SERPINE1 (0.57) | — | |
| SCHEMBL9067506 | 0.63 | TSHR (0.30) | — | |
| SCHEMBL5366422 | 0.63 | CYP1A2 (0.49) | — | |
| SCHEMBL28733712 | 0.62 | HDAC4 (0.47) | — | |
| SCHEMBL8043889 | 0.61 | CA12 (0.33) | — | |
| SCHEMBL11609583 | 0.61 | CYP2C9 (0.33) | — | |
| SCHEMBL17230529 | 0.61 | ESR1 (0.56) | — | |
| SCHEMBL11888430 | 0.60 | CA1 (0.48) | — | |
| SCHEMBL203311 | 0.60 | TSHR (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5516856-A | IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1996-05-14 | — | — | US | disclosed |
| US-5051531-A | As polymerization catalysts and for crosslinking | ATOCHEM NORTH AMERICA, INC. (US) | 1991-09-24 | — | — | US | disclosed |