⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7039586 | 0.84 | — | — | |
| SCHEMBL11717454 | 0.73 | — | — | |
| SCHEMBL23633165 | 0.73 | SMPD1 (0.32) | — | |
| SCHEMBL3815403 | 0.69 | CTSA (0.40) | — | |
| SCHEMBL20712082 | 0.69 | CYP3A4 (0.36) | — | |
| SCHEMBL5089904 | 0.69 | — | — | |
| SCHEMBL133326 | 0.69 | TSHR (0.45) | — | |
| SCHEMBL13228315 | 0.68 | CYP3A4 (0.32) | — | |
| SCHEMBL14136630 | 0.68 | CYP3A4 (0.36) | — | |
| SCHEMBL26205828 | 0.66 | NPSR1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100174007-A1 | Haloneopentyl Bis(ALKYL) Phosphate Ester, Flame Retardant Composition Containing Same and Polyurethane Foam Prepared Therewith | ICL-IP AMERICA INC. | 2010-07-08 | — | — | US | claimed |
| 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 | claimed |
| US-20100174007-A1 | Haloneopentyl Bis(ALKYL) Phosphate Ester, Flame Retardant Composition Containing Same and Polyurethane Foam Prepared Therewith | ICL-IP AMERICA INC. | 2010-07-08 | — | — | US | disclosed |
| 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 |