⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15575892 | 0.76 | — | — | |
| SCHEMBL4663207 | 0.76 | AURKA (0.33) | — | |
| SCHEMBL7972 | 0.73 | MEN1 (0.31) | — | |
| SCHEMBL1035451 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL3152148 | 0.69 | LMNA (0.35) | — | |
| SCHEMBL1037428 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL1707247 | 0.64 | KDM4E (0.31) | — | |
| SCHEMBL27607780 | 0.64 | CYP3A4 (0.48) | — | |
| SCHEMBL28959645 | 0.64 | MGLL (0.42) | — | |
| SCHEMBL19233639 | 0.64 | ACHE (0.36) | — |
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-2276732-A1 | NOVEL ESTROGEN RECEPTOR LIGANDS | KARO BIO AB (SE) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009127686-A1 | NOVEL ESTROGEN RECEPTOR LIGANDS | KARO BIO AB (SE) | 2009-10-22 | — | — | WO | disclosed |
| US-6930153-B2 | Production of maleic anhydride modified butyl rubber and use thereof | THE YOKOHAMA RUBBER CO., LTD. (JP) | 2005-08-16 | — | — | US | disclosed |
| US-20040010089-A1 | Production of maleic anhydride modified butyl rubber and use thereof | YOKOHAMA RUBBER CO., LTD., THE (JP) | 2004-01-15 | — | — | US | disclosed |