⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12724717 | 0.77 | MRGPRX2 (0.36) | — | |
| SCHEMBL8277333 | 0.74 | — | — | |
| SCHEMBL11912002 | 0.67 | — | — | |
| SCHEMBL18712087 | 0.62 | — | — | |
| SCHEMBL22166684 | 0.62 | — | — | |
| SCHEMBL19661558 | 0.62 | — | — | |
| SCHEMBL19840330 | 0.62 | — | — | |
| SCHEMBL20675902 | 0.62 | — | — | |
| SCHEMBL19766498 | 0.61 | HRH3 (0.32) | — | |
| SCHEMBL7885357 | 0.61 | HRH3 (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 |
|---|---|---|---|---|---|---|---|
| US-20110092504-A1 | INHIBITORS OF PI3 KINASE | AMGEN INC. | 2011-04-21 | — | — | US | disclosed |