⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21986777 | 0.75 | MTNR1A (0.34) | — | |
| SCHEMBL27031852 | 0.75 | DPP4 (0.35) | — | |
| Hydrochloric Acid SCHEMBL21986792 | 0.74 | DPP4 (0.35) | — | |
| SCHEMBL21986872 | 0.71 | DPP4 (0.45) | — | |
| SCHEMBL19538835 | 0.69 | PDE3B (0.40) | — | |
| SCHEMBL14587610 | 0.67 | NOS2 (0.38) | — | |
| SCHEMBL28345433 | 0.67 | CYP1A2 (0.33) | — | |
| SCHEMBL21986783 | 0.67 | IDO1 (0.37) | — | |
| SCHEMBL24163247 | 0.66 | MAPT (0.37) | — | |
| SCHEMBL23508730 | 0.66 | PTPN11 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3660003-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2024-01-24 | — | — | EP | disclosed |
| US-11713311-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-08-01 | — | — | US | disclosed |
| US-20220388995-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2022-12-08 | — | — | US | disclosed |
| US-11230541-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2022-01-25 | — | — | US | disclosed |
| US-20200231579-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-07-23 | — | — | US | disclosed |
| EP-3660003-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2020-06-03 | — | — | EP | disclosed |