⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL169732 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL31019655 | 0.76 | — | — | |
| Isothiocyanate SCHEMBL31658323 | 0.60 | — | — | |
| Ethyne SCHEMBL6349126 | 0.60 | — | — | |
| Fluoromethane SCHEMBL28269021 | 0.60 | — | — | |
| Methyl Alcohol SCHEMBL9399881 | 0.58 | TSHR (1.00) | — | |
| Methyl Alcohol SCHEMBL9462322 | 0.58 | — | — | |
| Methyl Alcohol SCHEMBL37 | 0.58 | — | — | |
| Methyl Alcohol SCHEMBL9874757 | 0.58 | TSHR (1.00) | — | |
| Methyl Alcohol SCHEMBL6906274 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1465869-B1 | MODULATORS OF LXR | EXELIXIS PATENT CO LLC (US) | 2013-05-15 | — | — | EP | claimed |