⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26980391 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL22057057 | 0.78 | — | — | |
| SCHEMBL1005520 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL11873569 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL11201626 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL11618719 | 0.71 | — | — | |
| SCHEMBL899456 | 0.71 | — | — | |
| SCHEMBL10503566 | 0.70 | — | — | |
| SCHEMBL21930775 | 0.70 | — | — | |
| SCHEMBL11653751 | 0.70 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0804397-B1 | OXYGENATES AND PROCESSES FOR THEIR MANUFACTURE | EXXONMOBIL CHEM PATENTS INC (US) | 2002-04-03 | — | — | EP | disclosed |
| US-6265619-B1 | HYDROFORMYLATING ETHYLENE AND ETHYLENICALLY UNSATURATED HYDROCARBON TO FORM PROPIONALDEHYDE AND ALDEHYDE; SUBJECTING TO CROSS-ALDOLIZATION TO PRODUCE UNSATURATED ALDEHYDE | EXXON CHEMICAL PATENTS INC. | 2001-07-24 | — | — | US | disclosed |