⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1445949 | 0.94 | — | — | |
| SCHEMBL11923811 | 0.92 | HDAC3 (0.30) | — | |
| SCHEMBL13075601 | 0.92 | HDAC3 (0.30) | — | |
| SCHEMBL8113051 | 0.88 | — | — | |
| SCHEMBL16828905 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL3936436 | 0.75 | — | — | |
| SCHEMBL11923812 | 0.75 | LMNA (0.38) | — | |
| SCHEMBL3939744 | 0.71 | — | — | |
| SCHEMBL1458379 | 0.70 | — | — | |
| SCHEMBL15213164 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230002324-A1 | NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS | PTC THERAPEUTICS, INC. | 2023-01-05 | — | — | US | disclosed |
| WO-2020252414-A1 | NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS | PTC THERAPEUTICS, INC. (US) | 2020-12-17 | — | — | WO | disclosed |
| CN-110461838-A | oxadiazole transient receptor potential channel inhibitors | HOFFMANN LA ROCHE | 2019-11-15 | — | — | CN | disclosed |
| WO-2016096721-A1 | PYRAZOLOPYRIDINAMINES AS MKNK1 AND MKNK2 INHIBITORS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-06-23 | — | — | WO | disclosed |
| US-5633364-A | N4 -substituted 2'-deoxycytidine compounds, oligonucleotides including N4 -labeled 2'-deoxycytidines, and a process for making oligonucleotides with N-modified 2'-deoxycytidines | AMOCO CORPORATION (US) | 1997-05-27 | — | — | US | disclosed |
| US-5405950-A | N4 -substituted cytidines and process for incorporation into an oligonucleotides | AMOCO CORPORATION (US) | 1995-04-11 | — | — | US | disclosed |