⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5089897 | 0.81 | — | — | |
| SCHEMBL6747904 | 0.81 | — | — | |
| SCHEMBL11600897 | 0.76 | MAPK1 (0.31) | — | |
| SCHEMBL5089904 | 0.73 | — | — | |
| SCHEMBL26205828 | 0.71 | NPSR1 (0.34) | — | |
| SCHEMBL133326 | 0.70 | TSHR (0.45) | — | |
| SCHEMBL2779785 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL14934973 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL16369496 | 0.67 | NPSR1 (0.32) | — | |
| SCHEMBL6866308 | 0.66 | CYP3A4 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008085807-A1 | HALONEOPENTYL BIS(ALKYL) PHOSPHATE ESTER, FLAME RETARDANT COMPOSITION CONTAINING SAME AND POLYURETHANE FOAM PREPARED THEREWITH | SUPRESTA LLC (US) | 2008-07-17 | — | — | WO | disclosed |