⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14778810 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL14837152 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL14836761 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL16047223 | 0.77 | — | — | |
| SCHEMBL27935946 | 0.76 | — | — | |
| SCHEMBL16046763 | 0.76 | — | — | |
| SCHEMBL8396194 | 0.76 | — | — | |
| SCHEMBL15370181 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL780592 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL3587837 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180308683-A1 | Wafer Washing Method, and Liquid Chemical Used in Same | CENTRAL GLASS COMPANY, LIMITED (JP) | 2018-10-25 | — | — | US | disclosed |