⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19937234 | 0.83 | GAA (0.41) | — | |
| SCHEMBL14464017 | 0.80 | ADORA2A (0.35) | — | |
| SCHEMBL1412465 | 0.77 | — | — | |
| SCHEMBL13312892 | 0.77 | — | — | |
| SCHEMBL20711073 | 0.73 | — | — | |
| SCHEMBL21715824 | 0.73 | KDM4E (0.34) | — | |
| SCHEMBL803109 | 0.73 | — | — | |
| SCHEMBL10979806 | 0.72 | — | — | |
| SCHEMBL19222771 | 0.72 | — | — | |
| SCHEMBL25703700 | 0.72 | GAA (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230192666-A1 | PIPERAZINE INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS | CORCEPT THERAPEUTICS INCORPORATED | 2023-06-22 | — | — | US | disclosed |
| US-20220119367-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | INTEGRAL BIOSCIENCES PVT. LTD. (IN) | 2022-04-21 | — | — | US | disclosed |
| US-20210292285-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC (US) | 2021-09-23 | — | — | US | disclosed |
| US-11028058-B2 | Heterocyclic compounds as adenosine antagonists | NUVATION BIO INC. (US) | 2021-06-08 | — | — | US | disclosed |
| US-20190023666-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) | 2019-01-24 | — | — | US | disclosed |
| US-20160347773-A1 | MICROBIOCIDALLY ACTIVE BENZOXABOROLES | SYNGENTA PARTICIPATIONS AG (CH) | 2016-12-01 | — | — | US | disclosed |