⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11429701 | 0.80 | TP53 (0.40) | — | |
| SCHEMBL18016101 | 0.79 | — | — | |
| SCHEMBL11417525 | 0.78 | CYP3A4 (0.41) | — | |
| SCHEMBL18486521 | 0.76 | LMNA (0.45) | — | |
| SCHEMBL7532438 | 0.75 | — | — | |
| SCHEMBL10897852 | 0.74 | — | — | |
| SCHEMBL8357160 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL11579799 | 0.71 | LMNA (0.36) | — | |
| SCHEMBL7535705 | 0.70 | — | — | |
| SCHEMBL16455155 | 0.70 | TSHR (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0971936-B1 | ALKYL-1-ALKOXYETHYLPHOSPHINOUS ACID ALUMINIUM SALTS | TICONA GMBH (DE) | 2002-04-17 | — | — | EP | disclosed |
| US-6229044-B1 | Alkyl-1-alkoxyethylphosphinous acid aluminum salts | TICONA GMBH DEUTSCHLAND KG (DE) | 2001-05-08 | — | — | US | disclosed |
| EP-0971936-A1 | ALKYL-1-ALKOXYETHYLPHOSPHINOUS ACID ALUMINIUM SALTS | Ticona GmbH (DE) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998039339-A1 | ALKYL-1-ALKOXYETHYLPHOSPHINOUS ACID ALUMINIUM SALTS | TICONA GMBH (DE) | 1998-09-11 | — | — | WO | disclosed |