⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26517 | 0.97 | — | — | |
| SCHEMBL27563263 | 0.94 | — | — | |
| Zinc Chloride SCHEMBL28067943 | 0.87 | ACHE (0.41) | — | |
| SCHEMBL28737718 | 0.87 | ACHE (0.41) | — | |
| Magnesium Chloride Anhydrous SCHEMBL28476554 | 0.87 | ACHE (0.41) | — | |
| SCHEMBL27522230 | 0.87 | ACHE (0.41) | — | |
| SCHEMBL2095994 | 0.82 | TAAR1 (0.54) | — | |
| SCHEMBL5541876 | 0.77 | MMP2 (0.40) | — | |
| SCHEMBL10546679 | 0.77 | HAO1 (0.46) | — | |
| Ethylene SCHEMBL27888003 | 0.76 | ACHE (0.55) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1626534-A | Steroid receptor modulator compounds and methods | LIGAND PHARM INC (US) | 2005-06-15 | — | — | CN | disclosed |
| CN-1547570-A | Substituted c-cyclohexylmethylamine derivatives | — | 2004-11-17 | — | — | CN | disclosed |
| CN-1172917-C | Steroid receptor modulator compounds and methods | ��λ��ҩ��ɷ�����˾ | 2004-10-27 | — | — | CN | disclosed |
| CN-1476429-A | EP4 receptor selective agonists in treatment of osteoporosis | �Ʒ� | 2004-02-18 | — | — | CN | disclosed |
| CN-1175247-A | Steroid receptor modulator compounds and methods | LIGAND PHARM INC (US) | 1998-03-04 | — | — | CN | disclosed |