⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11423212 | 0.81 | TDP1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL4450181 | 0.77 | TDP1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6225805 | 0.77 | TDP1 (0.33) | — | |
| SCHEMBL9912403 | 0.69 | — | — | |
| SCHEMBL31409183 | 0.69 | — | — | |
| SCHEMBL31602206 | 0.67 | — | — | |
| SCHEMBL31602209 | 0.67 | — | — | |
| SCHEMBL18083208 | 0.63 | — | — | |
| SCHEMBL15998831 | 0.60 | — | — | |
| SCHEMBL12448194 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230056447-A1 | TYK2 INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-02-23 | — | — | US | disclosed |
| WO-2022013728-A1 | NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2022-01-20 | — | — | WO | disclosed |
| EP-3483147-A1 | METALLOENZYME INHIBITOR COMPOUNDS | Innocrin Pharmaceuticals, Inc. (US) | 2019-05-15 | — | — | EP | disclosed |
| WO-2005016926-A1 | PYRIDO [3,4-D] PYRIMIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE-13 INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2005-02-24 | — | — | WO | disclosed |