⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8915656 | 1.00 | — | — | |
| SCHEMBL10140578 | 1.00 | — | — | |
| SCHEMBL14300995 | 0.79 | KCNH2 (0.31) | — | |
| SCHEMBL12301657 | 0.79 | KCNH2 (0.31) | — | |
| SCHEMBL6728773 | 0.79 | HDAC3 (0.40) | — | |
| SCHEMBL25847798 | 0.79 | TDP1 (0.30) | — | |
| Propane SCHEMBL27635089 | 0.78 | FFAR3 (0.40) | — | |
| SCHEMBL24134592 | 0.76 | CA2 (0.46) | — | |
| SCHEMBL10150910 | 0.76 | PGR (0.45) | — | |
| SCHEMBL10140644 | 0.76 | PGR (0.45) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110088152-B | Mixture and method for producing same, polymer, optical film, optically anisotropic body, polarizing plate, display device, and antireflection film | 日本瑞翁株式会社 | 2021-02-12 | — | — | CN | disclosed |