⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12855900 | 0.78 | — | — | |
| SCHEMBL5894540 | 0.75 | — | — | |
| SCHEMBL31173032 | 0.75 | — | — | |
| SCHEMBL7116467 | 0.75 | — | — | |
| SCHEMBL16662 | 0.75 | — | — | |
| Methacrylic Acid SCHEMBL8824607 | 0.75 | TP53 (0.43) | — | |
| Ethylene SCHEMBL7184474 | 0.73 | TP53 (0.47) | — | |
| SCHEMBL22551738 | 0.73 | — | — | |
| SCHEMBL147213 | 0.73 | — | — | |
| SCHEMBL7750671 | 0.71 | TP53 (0.45) | — |
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-20170247688-A1 | ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES | NUEVOLUTION A/S (DK) | 2017-08-31 | — | — | US | disclosed |