⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25140262 | 0.79 | — | — | |
| SCHEMBL27947173 | 0.72 | ELANE (0.32) | — | |
| SCHEMBL26939686 | 0.68 | ADORA3 (0.30) | — | |
| SCHEMBL28056934 | 0.67 | ELANE (0.30) | — | |
| SCHEMBL19803984 | 0.66 | — | — | |
| SCHEMBL17829512 | 0.64 | ADORA3 (0.30) | — | |
| SCHEMBL28078926 | 0.64 | PRKCA (0.36) | — | |
| SCHEMBL19753641 | 0.63 | ADORA3 (0.32) | — | |
| SCHEMBL19753637 | 0.63 | ADORA3 (0.32) | — | |
| SCHEMBL19753646 | 0.63 | ADORA3 (0.32) | — |
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-104822672-A | Therapeutic compounds and compositions and their use as PKM2 modulators | AGIOS PHARMACEUTICALS INC | 2015-08-05 | — | — | CN | disclosed |