⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36328 | 0.88 | TSHR (0.33) | — | |
| SCHEMBL5447393 | 0.74 | ATM (0.32) | — | |
| SCHEMBL28399558 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL284285 | 0.71 | — | — | |
| SCHEMBL8029175 | 0.71 | P2RX7 (0.31) | — | |
| SCHEMBL1816763 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL28512067 | 0.68 | MEN1 (0.35) | — | |
| SCHEMBL460577 | 0.67 | THRB (0.36) | — | |
| SCHEMBL10150666 | 0.66 | — | — | |
| SCHEMBL13718963 | 0.64 | — | — |
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-6139826-A | HAIR STYLING COMPOSITION CONTAINING GRAFT COPOLYMER HAS AN ORGANIC HYDROPHILIC BACKBONE AND GRAFTS COMPRISING A HYDROPHOBIC MACROMONOMER CHEMICALLY JOINED AND PENDANT THERETO AND A HYDROPHILIC SOLVENT | THE PROCTER & GAMBLE COMPANY (US) | 2000-10-31 | — | — | US | disclosed |