⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26629 | 0.87 | TDP1 (0.35) | — | |
| SCHEMBL3402458 | 0.87 | TDP1 (0.35) | — | |
| SCHEMBL2639741 | 0.85 | ALDH1A1 (0.32) | — | |
| Propylene Oxide SCHEMBL1905554 | 0.84 | ALDH1A1 (0.31) | — | |
| Oxirane SCHEMBL6300592 | 0.82 | ALDH1A1 (0.31) | — | |
| Ethylene Glycol SCHEMBL5922937 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL28927745 | 0.77 | — | — | |
| SCHEMBL21767639 | 0.76 | ALDH1A1 (0.32) | — | |
| Methacrylic Acid SCHEMBL6533344 | 0.76 | ALDH1A1 (0.36) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL5922803 | 0.75 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4744139-B2 | — | — | 2011-08-10 | — | — | JP | claimed |
| US-7429636-B2 | Organohydrogensilicon compounds | DOW CORNING CORPORATION (US) | 2008-09-30 | — | — | US | claimed |