⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18833719 | 0.68 | KCNH2 (0.31) | — | |
| SCHEMBL16364003 | 0.62 | TRPC4 (0.41) | — | |
| SCHEMBL18834275 | 0.58 | TP53 (0.37) | — | |
| SCHEMBL19374881 | 0.56 | P2RX3 (0.44) | — | |
| SCHEMBL19374820 | 0.55 | P2RX3 (0.42) | — | |
| SCHEMBL21499684 | 0.55 | P2RX3 (0.44) | — | |
| SCHEMBL15222195 | 0.55 | KDM4E (0.31) | — | |
| SCHEMBL19505499 | 0.55 | PDE5A (0.31) | — | |
| SCHEMBL21499650 | 0.55 | PDE5A (0.41) | — | |
| SCHEMBL18834232 | 0.55 | P2RX3 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970303-B1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES INC (US) | 2017-05-10 | — | — | EP | disclosed |