⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11237308 | 0.76 | BACE1 (0.32) | — | |
| SCHEMBL28557341 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL8484865 | 0.67 | — | — | |
| SCHEMBL5772044 | 0.67 | — | — | |
| SCHEMBL3346308 | 0.66 | — | — | |
| SCHEMBL8860252 | 0.63 | — | — | |
| SCHEMBL25698924 | 0.58 | ALDH1A1 (0.42) | — | |
| SCHEMBL639798 | 0.58 | ALDH1A1 (0.32) | — | |
| SCHEMBL23096934 | 0.57 | KDM1A (0.34) | — | |
| SCHEMBL9978052 | 0.57 | CFTR (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513188-A1 | HYPERBRANCHED POLYESTER WITH A HYDROPHOBIC NUCLEUS FOR SOLUBILIZING POORLY SOLUBLE ACTIVE SUBSTANCES | BASF SE (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073220-A1 | HYPERBRANCHED POLYESTER WITH A HYDROPHOBIC NUCLEUS FOR SOLUBILIZING POORLY SOLUBLE ACTIVE SUBSTANCES | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |
| EP-2061770-A1 | PIPERAZINE COMPOUNDS WITH HERBICIDAL ACTION | BASF SE (DE) | 2009-05-27 | — | — | EP | disclosed |
| WO-2009000757-A1 | PIPERAZINE COMPOUNDS WITH HERBICIDAL ACTION | BASF SE (DE) | 2008-12-31 | — | — | WO | disclosed |
| EP-0836593-A1 | 5-PYRAZOLYLBENZOIC ACID DERIVATIVES AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-22 | — | — | EP | disclosed |
| WO-1997002251-A1 | 5-PYRAZOLYLBENZOIC ACID DERIVATIVES AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-23 | — | — | WO | disclosed |