⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9399037 | 0.91 | — | — | |
| SCHEMBL815536 | 0.84 | — | — | |
| SCHEMBL14527926 | 0.83 | — | — | |
| SCHEMBL4925317 | 0.80 | — | — | |
| SCHEMBL11616237 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL14219544 | 0.77 | — | — | |
| SCHEMBL13232829 | 0.74 | — | — | |
| SCHEMBL11652280 | 0.70 | — | — | |
| SCHEMBL9008226 | 0.68 | CA2 (0.31) | — | |
| SCHEMBL311594 | 0.68 | ALDH1A1 (0.35) | — |
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-1924644-B1 | POLYURETHANE FLAME RETARDANT COMPOSITIONS | BASF SE (DE) | 2010-12-08 | — | — | EP | disclosed |
| EP-1668072-B1 | ADDITIVE MIXTURES | BASF SE (DE) | 2010-11-24 | — | — | EP | disclosed |
| EP-1948744-B1 | STABILIZERS FOR THERMOSETTING POWDER COATING COMPOSITIONS | DCC IP CORP (BB) | 2010-06-23 | — | — | EP | disclosed |