⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4745186 | 0.89 | CTSK (0.34) | — | |
| SCHEMBL6620420 | 0.89 | CTSK (0.31) | — | |
| SCHEMBL23178064 | 0.88 | SHBG (0.46) | — | |
| SCHEMBL29570819 | 0.88 | — | — | |
| SCHEMBL642544 | 0.88 | CPB2 (0.31) | — | |
| SCHEMBL25337626 | 0.88 | SHBG (0.46) | — | |
| SCHEMBL5245732 | 0.88 | SHBG (0.46) | — | |
| SCHEMBL8075546 | 0.87 | SHBG (0.37) | — | |
| SCHEMBL12817708 | 0.83 | SHBG (0.39) | — | |
| SCHEMBL5479967 | 0.81 | SHBG (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111989382-B | Photochromic compound, curable composition containing the same, and optical article | 株式会社德山 | 2024-01-05 | — | — | CN | disclosed |
| CN-112424260-B | Photochromic compound and curable composition containing the same | 株式会社德山 | 2023-10-13 | — | — | CN | disclosed |
| WO-2011121309-A1 | PHENYL SULFONYL DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-06 | — | — | WO | disclosed |