⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL811885 | 0.84 | — | — | |
| Ethylene Glycol SCHEMBL2139582 | 0.77 | — | — | |
| SCHEMBL31307018 | 0.72 | — | — | |
| Ethylene Glycol SCHEMBL27584732 | 0.69 | — | — | |
| Ethylene Glycol SCHEMBL28443320 | 0.65 | TSHR (0.36) | — | |
| SCHEMBL18257899 | 0.65 | — | — | |
| SCHEMBL23225946 | 0.64 | — | — | |
| Alcohol SCHEMBL27790669 | 0.63 | — | — | |
| SCHEMBL811045 | 0.63 | — | — | |
| Ethylene Glycol SCHEMBL7074965 | 0.61 | — | — |
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-20030091602-A1 | METHOD OF TREATING A COSMETIC COMPOSITION BY IRRADIATION WITH NIR RADIATION, AND ITS USE | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-15 | — | — | US | disclosed |