⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28300533 | 0.84 | TLR7 (0.42) | — | |
| SCHEMBL25273826 | 0.84 | TLR7 (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL27683928 | 0.83 | FDPS (0.43) | — | |
| SCHEMBL23166649 | 0.82 | — | — | |
| Ethylene SCHEMBL28588441 | 0.81 | TLR7 (0.40) | — | |
| Bromide SCHEMBL28245379 | 0.81 | FDPS (0.42) | — | |
| SCHEMBL48932 | 0.80 | — | — | |
| SCHEMBL30101478 | 0.78 | FDPS (0.43) | — | |
| Iodide SCHEMBL633577 | 0.78 | FDPS (0.43) | — | |
| Hydrochloric Acid SCHEMBL30754387 | 0.78 | FDPS (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1109847-B1 | LOW-EMISSION, POLYURETHANE FOAMS WHICH ARE STABLE DURING HYDROLYSIS | PERFORMANCE CHEMICALS HANDELS (DE) | 2005-08-10 | — | — | EP | claimed |
| US-20080311483-A1 | Radiation-Crosslinking And Thermally Crosslinking PU Systems-Based On Poly(epsilon-Caprolactone) Polyester Polyols | BAYER MATERIALSCIENCE AG (DE) | 2008-12-18 | — | — | US | disclosed |
| US-20070055038-A1 | Adducts containing isocyanate groups and composition adhering effectively to painted substrates | SIKA TECHNOLOGY AG (CH) | 2007-03-08 | — | — | US | disclosed |