⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1325080 | 0.69 | — | — | |
| SCHEMBL3708775 | 0.65 | HSD17B10 (0.41) | — | |
| SCHEMBL848749 | 0.65 | — | — | |
| SCHEMBL4437110 | 0.65 | — | — | |
| SCHEMBL28114913 | 0.61 | — | — | |
| SCHEMBL28235234 | 0.61 | CYP3A4 (0.36) | — | |
| SCHEMBL8959626 | 0.61 | TNF (0.48) | — | |
| SCHEMBL4048611 | 0.61 | TNF (1.00) | — | |
| SCHEMBL25110368 | 0.60 | — | — | |
| SCHEMBL8614804 | 0.60 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111699185-B | 6-azaindole compounds | 百时美施贵宝公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-114746090-A | Azaindole carboxamide compounds for the treatment of mycobacterial infections | 结核病药物开发全球联盟公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-106866658-B | 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors | 沃纳利斯(R&D)有限公司 | 2021-04-27 | — | — | CN | disclosed |
| CN-111699185-A | 6-azaindole compounds | 百时美施贵宝公司 | 2020-09-22 | — | — | CN | disclosed |
| CN-111484493-A | 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors | 沃纳利斯(R&D)有限公司 | 2020-08-04 | — | — | CN | disclosed |
| WO-2017031325-A1 | OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF | FORUM PHARMACEUTICALS INC. (US) | 2017-02-23 | — | — | WO | disclosed |
| US-20170050980-A1 | OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF | DENALI THERAPEUTICS, INC. | 2017-02-23 | — | — | US | disclosed |