⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31418727 | 0.96 | — | — | |
| SCHEMBL204256 | 0.78 | — | — | |
| SCHEMBL48368 | 0.78 | — | — | |
| SCHEMBL29064564 | 0.75 | — | — | |
| SCHEMBL11651286 | 0.74 | THRB (0.39) | — | |
| SCHEMBL1524384 | 0.73 | — | — | |
| Tert-Butanol SCHEMBL583190 | 0.73 | — | — | |
| SCHEMBL4733590 | 0.73 | — | — | |
| SCHEMBL7954975 | 0.73 | — | — | |
| SCHEMBL3123264 | 0.73 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4407981-A | SYNERGISTIC PHOSPHONATE AND ORGANOHALOGEN | STAUFFER CHEMICAL COMPANY (US) | 1983-10-04 | — | — | US | claimed |
| WO-2022101665-A1 | HIGHLY RESISTANT MATERIAL WITH EXCELLENT PHYSICAL PROPERTIES OBTAINED BY THE TOTAL RECOVERY OF EXPANDED POLYSTYRENE AND PLASTIC, AND PROCESS FOR OBTAINING IT | ICONICS CYCLE S.A.S. (CO) | 2022-05-19 | — | — | WO | disclosed |
| US-8048935-B2 | Liquid foam systems and ASTM E-84 class 1 rated rigid, high-density polyurethane foams and articles prepared therefrom | CARPENTER CO. (US) | 2011-11-01 | — | — | US | disclosed |
| US-20060100295-A1 | Liquid foam systems and ASTM E-84 class 1 rated rigid, high-density polyurethane foams and articles prepared therefrom | CARPENTER CO. | 2006-05-11 | — | — | US | disclosed |
| WO-1994012858-A1 | SOLID STATE DEVICE FOR MONITORING INTEGRAL VALUES OF TIME AND TEMPERATURE OF STORAGE OF PERISHABLES | JP LABORATORIES, INC. (US) | 1994-06-09 | — | — | WO | disclosed |
| US-5254473-A | Solid state device for monitoring integral values of time and temperature of storage of perishables | JP LABORATORIES | 1993-10-19 | — | — | US | disclosed |
| US-4407981-A | SYNERGISTIC PHOSPHONATE AND ORGANOHALOGEN | STAUFFER CHEMICAL COMPANY (US) | 1983-10-04 | — | — | US | disclosed |
| US-4407981-A | SYNERGISTIC PHOSPHONATE AND ORGANOHALOGEN | STAUFFER CHEMICAL COMPANY (US) | 1983-10-04 | — | — | US | disclosed |