⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5400932 | 0.92 | TP53 (0.33) | — | |
| SCHEMBL28131780 | 0.80 | — | — | |
| SCHEMBL28841085 | 0.80 | LMNA (0.32) | — | |
| SCHEMBL20996630 | 0.75 | TAAR1 (0.37) | — | |
| SCHEMBL20515357 | 0.74 | PTPN1 (0.31) | — | |
| SCHEMBL28865587 | 0.74 | LMNA (0.31) | — | |
| SCHEMBL3920385 | 0.73 | PTPN1 (0.40) | — | |
| SCHEMBL20996267 | 0.72 | TSHR (0.34) | — | |
| SCHEMBL27522753 | 0.71 | TDP1 (0.33) | — | |
| SCHEMBL10606126 | 0.70 | CDC25B (0.36) | — |
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-1226894-A | Metallocene and olefin polymerization catalyst | MONTELL TECHNOLOGY COMPANY BV (NL) | 1999-08-25 | — | — | CN | disclosed |