⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16287681 | 0.87 | — | — | |
| SCHEMBL4448679 | 0.77 | DNM1 (0.36) | — | |
| SCHEMBL378172 | 0.76 | — | — | |
| SCHEMBL28681827 | 0.75 | — | — | |
| SCHEMBL8713621 | 0.75 | — | — | |
| SCHEMBL8902410 | 0.75 | — | — | |
| SCHEMBL20758295 | 0.75 | — | — | |
| SCHEMBL7717461 | 0.72 | — | — | |
| SCHEMBL10486264 | 0.72 | — | — | |
| SCHEMBL10493596 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015143012-A1 | HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS | INFINITY PHARMACEUTICALS, INC. (US) | 2015-09-24 | — | — | WO | disclosed |
| WO-2015051244-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2015-04-09 | — | — | WO | disclosed |