⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL7718124 | 0.74 | CA2 (0.32) | — | |
| Ethane SCHEMBL23013321 | 0.74 | CES2 (0.33) | — | |
| Chloromethane SCHEMBL28080031 | 0.74 | CA2 (0.32) | — | |
| SCHEMBL52 | 0.74 | CA2 (0.35) | — | |
| SCHEMBL27623481 | 0.74 | CA2 (0.35) | — | |
| SCHEMBL17153962 | 0.72 | DGAT1 (0.32) | — | |
| SCHEMBL20867951 | 0.72 | ELANE (0.33) | — | |
| Urea SCHEMBL28253601 | 0.71 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL8958370 | 0.71 | CA2 (0.33) | — | |
| Hydrogen Peroxide SCHEMBL2051538 | 0.71 | CA2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004011473-A1 | ORGANOGERMANIUM COMPOUNDS AND METHODS FOR THEIR USE | CHIROGEN PTY LIMITED (AU) | 2004-02-05 | — | — | WO | disclosed |