⚠ 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 SCHEMBL27905280 | 0.96 | EPHX1 (0.32) | — | |
| Ethylene Glycol SCHEMBL28803640 | 0.91 | ALDH1A1 (0.30) | — | |
| SCHEMBL6380406 | 0.91 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL27905330 | 0.89 | TSHR (0.41) | — | |
| Propylene Glycol SCHEMBL27888521 | 0.88 | TDP1 (0.39) | — | |
| SCHEMBL3410048 | 0.87 | SHBG (0.37) | — | |
| SCHEMBL6379603 | 0.87 | SHBG (0.37) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL27905311 | 0.85 | TSHR (0.41) | — | |
| SCHEMBL3414449 | 0.85 | SHBG (0.41) | — | |
| SCHEMBL108743 | 0.85 | SHBG (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102898149-A | Solvent or solvent composition for manufacturing laminated ceramic member | DAICEL CHEM | 2013-01-30 | — | — | CN | disclosed |