⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23818414 | 0.84 | PTPN1 (0.36) | — | |
| SCHEMBL14548232 | 0.80 | — | — | |
| SCHEMBL15975337 | 0.78 | — | — | |
| SCHEMBL15713135 | 0.78 | — | — | |
| SCHEMBL14311286 | 0.78 | — | — | |
| SCHEMBL16628300 | 0.78 | — | — | |
| SCHEMBL14402743 | 0.78 | — | — | |
| SCHEMBL14731957 | 0.76 | CA1 (0.37) | — | |
| SCHEMBL19047656 | 0.76 | — | — | |
| SCHEMBL6141515 | 0.76 | TSHR (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022009999-A2 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2022-01-13 | — | — | WO | disclosed |
| EP-3116859-B1 | NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP (KR) | 2018-08-01 | — | — | EP | disclosed |
| US-9730876-B2 | Process for dyeing keratin fibres comprising a dye-pigment, a photoactive compound and a light source | L'OREAL (FR) | 2017-08-15 | — | — | US | disclosed |