⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10159729 | 0.72 | — | — | |
| SCHEMBL19085970 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL231287 | 0.70 | — | — | |
| SCHEMBL11399167 | 0.70 | — | — | |
| SCHEMBL19219036 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL20115797 | 0.69 | CGAS (0.42) | — | |
| SCHEMBL21217825 | 0.67 | RAB9A (0.36) | — | |
| SCHEMBL15130506 | 0.65 | DCUN1D1 (0.56) | — | |
| SCHEMBL11802553 | 0.64 | HRH4 (0.34) | — | |
| SCHEMBL1899826 | 0.64 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11786608-B2 | Isoquinolinyl triazolone complexes | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-17 | — | — | US | disclosed |
| US-11786608-B2 | Isoquinolinyl triazolone complexes | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-17 | — | — | US | disclosed |
| US-20210138086-A1 | ISOQUINOLINYL TRIAZOLONE COMPLEXES | CHEN RONGLIANG (US) | 2021-05-13 | — | — | US | disclosed |
| US-20180015083-A1 | PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES | TAKEDA CALIFORNIA, INC. | 2018-01-18 | — | — | US | disclosed |
| US-9801872-B2 | Pyridinyl and fused pyridinyl triazolone derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-10-31 | — | — | US | disclosed |
| US-20160310483-A1 | PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES | TAKEDA CALIFORNIA INC. | 2016-10-27 | — | — | US | disclosed |
| US-9402841-B2 | Pyridinyl and fused pyridinyl triazolone derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-08-02 | — | — | US | disclosed |
| US-20140256734-A1 | PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-09-11 | — | — | US | disclosed |