⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5947966 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL642729 | 0.74 | — | — | |
| SCHEMBL26380 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL8012448 | 0.74 | — | — | |
| SCHEMBL4676137 | 0.72 | — | — | |
| SCHEMBL27636970 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL5947964 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL31357004 | 0.70 | ALDH1A1 (0.36) | — | |
| Acetic Acid SCHEMBL9771962 | 0.70 | FFAR3 (0.41) | — | |
| SCHEMBL7367474 | 0.70 | ALDH1A1 (0.36) | — |
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-106200256-B | Phase reversal blank mask and photomask | 株式会社 S&S TECH | 2020-07-10 | — | — | CN | disclosed |