⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11071355 | 0.74 | — | — | |
| SCHEMBL22295312 | 0.69 | — | — | |
| SCHEMBL20992157 | 0.69 | — | — | |
| SCHEMBL15246656 | 0.69 | — | — | |
| SCHEMBL22810409 | 0.69 | — | — | |
| SCHEMBL12861943 | 0.69 | — | — | |
| SCHEMBL22890915 | 0.69 | — | — | |
| SCHEMBL20927266 | 0.66 | — | — | |
| SCHEMBL23287636 | 0.65 | — | — | |
| SCHEMBL14327240 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230040259-A1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES, LLC (US) | 2023-02-09 | — | — | US | disclosed |
| US-11208409-B2 | Substituted xanthines and methods of use thereof | HYDRA BIOSCIENCES, LLC (US) | 2021-12-28 | — | — | US | disclosed |
| US-20190322667-A1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-10-24 | — | — | US | disclosed |