⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13347877 | 0.69 | — | — | |
| SCHEMBL2823577 | 0.68 | DYRK1A (0.35) | — | |
| SCHEMBL20206805 | 0.65 | — | — | |
| SCHEMBL15374804 | 0.62 | DCUN1D1 (0.32) | — | |
| SCHEMBL19919554 | 0.62 | — | — | |
| SCHEMBL20206754 | 0.62 | MAPK1 (0.35) | — | |
| SCHEMBL20059704 | 0.60 | — | — | |
| SCHEMBL20206779 | 0.60 | — | — | |
| SCHEMBL13906354 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL8789178 | 0.59 | HCAR2 (0.30) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9562020-B2 | Dihydroxy aromatic heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-02-07 | — | — | US | claimed |
| US-20160039771-A1 | DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2016-02-11 | — | — | US | claimed |
| US-10202399-B2 | Dihydroxy aromatic heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-02-12 | — | — | US | disclosed |
| US-20170107226-A1 | DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND | ASTELLAS PHARMA INC. (JP) | 2017-04-20 | — | — | US | disclosed |
| US-20170107226-A1 | DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND | ASTELLAS PHARMA INC. (JP) | 2017-04-20 | — | — | US | disclosed |
| US-9562020-B2 | Dihydroxy aromatic heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-02-07 | — | — | US | disclosed |
| US-9562020-B2 | Dihydroxy aromatic heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-02-07 | — | — | US | disclosed |
| US-20160039771-A1 | DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2016-02-11 | — | — | US | disclosed |
| US-20160039771-A1 | DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2016-02-11 | — | — | US | disclosed |
| US-9212147-B2 | Dihydroxy aromatic heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-12-15 | — | — | US | disclosed |
| US-9212147-B2 | Dihydroxy aromatic heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-12-15 | — | — | US | disclosed |
| US-20140336165-A1 | DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND | ASTELLAS PHARMA INC. (JP) | 2014-11-13 | — | — | US | disclosed |
| US-20140336165-A1 | DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND | ASTELLAS PHARMA INC. (JP) | 2014-11-13 | — | — | US | disclosed |