⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL321022 | 0.97 | — | — | |
| Methylene Chloride SCHEMBL11392574 | 0.85 | KMT2A (0.34) | — | |
| SCHEMBL11000666 | 0.77 | POLB (0.32) | — | |
| SCHEMBL451023 | 0.76 | KDM4E (0.41) | — | |
| SCHEMBL450522 | 0.76 | KDM4E (0.41) | — | |
| SCHEMBL7066484 | 0.73 | — | — | |
| SCHEMBL26965406 | 0.72 | KDM4E (0.44) | — | |
| SCHEMBL2987964 | 0.72 | KDM4E (0.44) | — | |
| SCHEMBL607546 | 0.72 | — | — | |
| SCHEMBL1320483 | 0.69 | — | — |
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-103748088-A | Tyrosine Kinase Inhibitors | HOFFMANN LA ROCHE | 2014-04-23 | — | — | CN | disclosed |
| CN-1659143-A | Nitrogen-containing heteroaryl compounds having HIV integrase inhibitory activity | SHIONOGI & CO (JP) | 2005-08-24 | — | — | CN | disclosed |