⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL4453864 | 0.93 | — | — | |
| Ethylene Glycol SCHEMBL11969794 | 0.88 | TSHR (0.36) | — | |
| Ethylene Glycol SCHEMBL11969951 | 0.88 | TSHR (0.36) | — | |
| Ethylene Glycol SCHEMBL6815972 | 0.88 | TSHR (0.36) | — | |
| 2-Methoxyethanol SCHEMBL4885313 | 0.87 | — | — | |
| Methyl Alcohol SCHEMBL20494944 | 0.86 | — | — | |
| SCHEMBL18498464 | 0.86 | CA1 (0.33) | — | |
| SCHEMBL12624 | 0.86 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL273879 | 0.85 | TSHR (0.59) | — | |
| 2-Methoxyethanol SCHEMBL27502144 | 0.84 | TSHR (0.43) | — |
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-0831142-B1 | Process for the removal of water and naphtha from a gas, consisting of two additional steps of solvent regeneration | INST FRANCAIS DU PETROLE (FR) | 2002-12-11 | — | — | EP | claimed |