⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL169061 | 0.96 | — | — | |
| SCHEMBL11171532 | 0.93 | — | — | |
| Acrylic Acid SCHEMBL565293 | 0.80 | LMNA (0.53) | — | |
| Methacrylic Acid SCHEMBL1375582 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL28278727 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL3798098 | 0.69 | — | — | |
| SCHEMBL10674833 | 0.69 | — | — | |
| SCHEMBL5499964 | 0.67 | — | — | |
| SCHEMBL18071118 | 0.65 | — | — | |
| SCHEMBL2839857 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1529584-A | Damp cleansing wipe | — | 2004-09-15 | — | — | CN | disclosed |
| CN-1229433-A | Substantially odor-free polyhydroxyl solvents | PROCTER & GAMBLE (US) | 1999-09-22 | — | — | CN | disclosed |