⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5146263 | 0.79 | CA12 (0.31) | — | |
| SCHEMBL27865902 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL27502060 | 0.71 | — | — | |
| SCHEMBL2051706 | 0.70 | MEN1 (0.48) | — | |
| SCHEMBL2050791 | 0.69 | CA12 (0.47) | — | |
| SCHEMBL5852865 | 0.67 | — | — | |
| SCHEMBL2044259 | 0.65 | TRPA1 (0.49) | — | |
| SCHEMBL2051906 | 0.65 | TRPA1 (0.49) | — | |
| SCHEMBL2047998 | 0.64 | ELANE (0.48) | — | |
| SCHEMBL18426 | 0.64 | ALDH1A1 (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-1971621-A1 | PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS | ExxonMobil Chemical Patents Inc. (US) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007070045-A1 | PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS | EXXONMOBIL CHEMICAL PATENTS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |