⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8162156 | 0.55 | HDAC9 (0.39) | — | |
| SCHEMBL1958676 | 0.55 | CA1 (0.41) | — | |
| SCHEMBL196204 | 0.54 | SIGMAR1 (0.44) | — | |
| SCHEMBL25267221 | 0.53 | DRD2 (0.34) | — | |
| SCHEMBL19413982 | 0.52 | TSHR (0.40) | — | |
| SCHEMBL6023073 | 0.52 | ADRA1D (0.35) | — | |
| SCHEMBL32683479 | 0.52 | ADRA1D (0.35) | — | |
| SCHEMBL4644536 | 0.52 | HTR2A (0.37) | — | |
| SCHEMBL4702604 | 0.52 | HDAC9 (0.36) | — | |
| SCHEMBL122942 | 0.51 | HDAC9 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1339662-A1 | NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III | KARO BIO AB (SE) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002046134-A1 | NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III | KARO BIO AB (SE) | 2002-06-13 | — | — | WO | disclosed |