⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL316973 | 0.93 | — | — | |
| SCHEMBL318323 | 0.86 | TP53 (0.31) | — | |
| SCHEMBL6009877 | 0.77 | — | — | |
| SCHEMBL6009840 | 0.77 | — | — | |
| SCHEMBL6009901 | 0.74 | — | — | |
| SCHEMBL11535178 | 0.73 | — | — | |
| SCHEMBL18179610 | 0.72 | TP53 (0.31) | — | |
| SCHEMBL6895130 | 0.72 | — | — | |
| SCHEMBL6009078 | 0.71 | — | — | |
| SCHEMBL6009888 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5059678-A | POLYMERIZATION OF OLEFIN/CARBON MONOXIDE WITH PALLADIUM SALT, BIDENTATE LIGAND AND CARBOXYLIC ACID ESTER OR ANHYDRIDE | SHELL OIL COMPANY (US) | 1991-10-22 | — | — | US | disclosed |