⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4082715 | 0.76 | — | — | |
| SCHEMBL322231 | 0.75 | — | — | |
| SCHEMBL3971061 | 0.68 | — | — | |
| SCHEMBL5265432 | 0.68 | — | — | |
| SCHEMBL4801144 | 0.64 | — | — | |
| SCHEMBL15017736 | 0.62 | — | — | |
| SCHEMBL1662055 | 0.61 | TAAR1 (0.31) | — | |
| SCHEMBL18305321 | 0.60 | — | — | |
| SCHEMBL16428511 | 0.58 | ALDH1A1 (0.41) | — | |
| SCHEMBL967581 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3397629-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VPS-3, Inc. (US) | 2018-11-07 | — | — | EP | disclosed |
| EP-3204009-A1 | HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES | BioMarin Pharmaceutical Inc. (US) | 2017-08-16 | — | — | EP | disclosed |
| WO-2017117393-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2017-07-06 | — | — | WO | disclosed |
| WO-2016057834-A9 | HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES | BIOMARIN PHARMACEUTICAL INC. (US) | 2017-04-13 | — | — | WO | disclosed |
| WO-2016057834-A1 | HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES | BIOMARIN PHARMACEUTICAL INC. (US) | 2016-04-14 | — | — | WO | disclosed |
| EP-2611805-A1 | FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT | Takeda Pharmaceutical Company Limited (JP) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012029991-A1 | FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-08 | — | — | WO | disclosed |