⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18685175 | 0.83 | — | — | |
| SCHEMBL20203498 | 0.75 | GRM5 (0.33) | — | |
| SCHEMBL13684351 | 0.75 | GRM5 (0.34) | — | |
| SCHEMBL13371674 | 0.74 | PIK3CD (0.44) | — | |
| SCHEMBL25997942 | 0.72 | CHRM2 (0.40) | — | |
| SCHEMBL8282898 | 0.67 | PIK3CD (0.52) | — | |
| SCHEMBL12856040 | 0.65 | PIK3CD (0.31) | — | |
| SCHEMBL8041823 | 0.65 | PIK3CD (0.31) | — | |
| SCHEMBL20017663 | 0.65 | — | — | |
| SCHEMBL11930037 | 0.64 | GRM5 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2337553-B1 | SMOOTH STYLING AGENTS GIVING A HIGH DEGREE OF HOLD | HENKEL AG & CO KGAA (DE) | 2018-04-04 | — | — | EP | disclosed |
| EP-2272499-B1 | Styling agents giving a high degree of hold in humid conditions | HENKEL AG & CO KGAA (DE) | 2017-06-07 | — | — | EP | disclosed |