⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL882027 | 0.81 | — | — | |
| SCHEMBL14293399 | 0.81 | — | — | |
| SCHEMBL18989566 | 0.75 | — | — | |
| SCHEMBL94111 | 0.74 | — | — | |
| SCHEMBL31324837 | 0.74 | — | — | |
| SCHEMBL13632702 | 0.74 | — | — | |
| SCHEMBL10399561 | 0.74 | — | — | |
| SCHEMBL25198744 | 0.72 | — | — | |
| SCHEMBL364262 | 0.72 | — | — | |
| Bromide SCHEMBL5755666 | 0.72 | NOS2 (0.95) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3792260-A1 | AZABENZIMIDAZOLE COMPOUNDS AND PHARMACEUTICAL | Nippon Shinyaku Co., Ltd. (JP) | 2021-03-17 | — | — | EP | disclosed |
| US-10800754-B2 | Heterocyclic amide compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-10-13 | — | — | US | disclosed |
| WO-2019156929-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | eXIthera Pharmaceuticals Inc. (US) | 2019-08-15 | — | — | WO | disclosed |
| EP-3514150-A1 | HETEROCYCLIC AMIDE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2019-07-24 | — | — | EP | disclosed |
| EP-1928879-B1 | FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2013-02-13 | — | — | EP | disclosed |