⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL993238 | 0.79 | CA2 (0.37) | — | |
| SCHEMBL2319795 | 0.78 | SLC1A3 (0.32) | — | |
| SCHEMBL1260959 | 0.77 | — | — | |
| SCHEMBL4443435 | 0.77 | — | — | |
| SCHEMBL5010004 | 0.75 | CYP3A4 (0.35) | — | |
| SCHEMBL51201 | 0.74 | FFAR3 (0.41) | — | |
| Isopropyl Alcohol SCHEMBL2156947 | 0.73 | TP53 (0.36) | — | |
| SCHEMBL28320676 | 0.73 | MAPT (0.31) | — | |
| SCHEMBL6383301 | 0.73 | GABRR1 (0.38) | — | |
| SCHEMBL16465221 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1730204-B1 | COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS | BASELL POLIOLEFINE SRL (IT) | 2011-08-10 | — | — | EP | disclosed |