⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20432416 | 0.81 | P2RX3 (0.39) | — | |
| SCHEMBL19505240 | 0.74 | P2RX3 (0.40) | — | |
| SCHEMBL23255225 | 0.72 | GAA (0.33) | — | |
| SCHEMBL21499684 | 0.71 | P2RX3 (0.44) | — | |
| SCHEMBL19505435 | 0.70 | PDE4D (0.31) | — | |
| SCHEMBL19505418 | 0.69 | PDE5A (0.42) | — | |
| SCHEMBL19375680 | 0.68 | TRPC4 (0.46) | — | |
| SCHEMBL20432487 | 0.68 | P2RX3 (0.46) | — | |
| SCHEMBL19375611 | 0.67 | TRPC4 (0.41) | — | |
| SCHEMBL16027932 | 0.66 | CYP1A2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9969736-B2 | Substituted xanthines and methods of use thereof | HYDRA BIOSCIENCES, INC. (US) | 2018-05-15 | — | — | US | disclosed |
| US-20170305910-A1 | Substituted Xanthines and Methods of Use Thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-10-26 | — | — | US | disclosed |