⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14058255 | 0.89 | — | — | |
| SCHEMBL29512307 | 0.84 | CA1 (0.41) | — | |
| SCHEMBL1981166 | 0.84 | CA1 (0.41) | — | |
| SCHEMBL14058610 | 0.78 | PTGS2 (0.33) | — | |
| SCHEMBL14058612 | 0.78 | PTGS2 (0.33) | — | |
| SCHEMBL20242457 | 0.78 | CA2 (0.44) | — | |
| Sulfamide SCHEMBL5230684 | 0.75 | CYP1A2 (0.44) | — | |
| SCHEMBL27895889 | 0.75 | CA2 (0.52) | — | |
| SCHEMBL14918727 | 0.74 | HNF4A (0.49) | — | |
| SCHEMBL25421181 | 0.74 | LRRK2 (0.40) | — |
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-20120302609-A1 | Pyrazolines for the Modulation of PKM2 | DYNAMIX PHARMACEUTICALS LTD. (IL) | 2012-11-29 | — | — | US | disclosed |