⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1239830 | 0.95 | — | — | |
| SCHEMBL120413 | 0.95 | — | — | |
| SCHEMBL7876798 | 0.90 | — | — | |
| SCHEMBL8749604 | 0.90 | — | — | |
| SCHEMBL10883221 | 0.90 | TP53 (0.32) | — | |
| SCHEMBL938020 | 0.90 | — | — | |
| SCHEMBL12501207 | 0.90 | — | — | |
| SCHEMBL9101121 | 0.90 | — | — | |
| SCHEMBL8677864 | 0.90 | — | — | |
| SCHEMBL6916531 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101457169-A | Biomass lubricant or additive agent thereof | BO LENG (CN) | 2009-06-17 | — | — | CN | disclosed |
| CN-1104930-A | Fluorination in tubular reactor system | MINNESOTA MINING & MFG (US) | 1995-07-12 | — | — | CN | disclosed |