⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28638233 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL2128732 | 0.72 | — | — | |
| SCHEMBL28060340 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL2276513 | 0.70 | LMNA (0.40) | — | |
| SCHEMBL4165620 | 0.69 | — | — | |
| SCHEMBL5685809 | 0.69 | — | — | |
| SCHEMBL28974561 | 0.69 | KDM4E (0.39) | — | |
| SCHEMBL4235248 | 0.69 | TSHR (0.44) | — | |
| SCHEMBL9715484 | 0.67 | — | — | |
| SCHEMBL28450675 | 0.67 | — | — |
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-105612200-A | Optical material composition and optical material using same | MITSUBISHI GAS CHEMICAL CO | 2016-05-25 | — | — | CN | disclosed |