⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL28020339 | 0.95 | — | — | |
| SCHEMBL471026 | 0.91 | — | — | |
| Formaldehyde SCHEMBL1044592 | 0.82 | — | — | |
| Alcohol SCHEMBL6801060 | 0.72 | — | — | |
| SCHEMBL14370574 | 0.61 | — | — | |
| Dimethylamine SCHEMBL7603588 | 0.57 | — | — | |
| Dimethylamine SCHEMBL27929426 | 0.54 | KDM4E (0.38) | — | |
| Dimethylamine SCHEMBL6056947 | 0.54 | — | — | |
| Dimethylamine SCHEMBL918627 | 0.54 | — | — | |
| SCHEMBL1665889 | 0.53 | — | — |
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-104768952-A | PI3K inhibitors | KBP BIOSCIENCES CO LTD | 2015-07-08 | — | — | CN | disclosed |