⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11330665 | 0.81 | ANPEP (0.37) | — | |
| SCHEMBL9505972 | 0.77 | CTSA (0.40) | — | |
| SCHEMBL5897237 | 0.75 | GABBR2 (0.32) | — | |
| SCHEMBL2185216 | 0.75 | CYP3A4 (0.35) | — | |
| SCHEMBL15259072 | 0.75 | MMP1 (0.35) | — | |
| SCHEMBL575153 | 0.72 | TRPM8 (0.36) | — | |
| SCHEMBL1107759 | 0.72 | — | — | |
| SCHEMBL11121105 | 0.72 | TRPM8 (0.36) | — | |
| SCHEMBL13163297 | 0.72 | BTN3A1 (0.38) | — | |
| SCHEMBL10794621 | 0.72 | LAP3 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1739122-B1 | Polymer compositions containing salts of phosphonic acids | LANXESS DEUTSCHLAND GMBH (DE) | 2008-03-26 | — | — | EP | claimed |
| US-20070029532-A1 | Flame retardant preparation | LANXESS DEUTSCHLAND GMBH (DE) | 2007-02-08 | — | — | US | claimed |
| US-20070029532-A1 | Flame retardant preparation | LANXESS DEUTSCHLAND GMBH (DE) | 2007-02-08 | — | — | US | disclosed |