⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL132857 | 0.97 | — | — | |
| Water SCHEMBL7567835 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28359575 | 0.93 | — | — | |
| Glyoxylate SCHEMBL28767969 | 0.88 | HCAR2 (0.55) | — | |
| Benzene SCHEMBL30573452 | 0.88 | HCAR2 (0.50) | — | |
| Acetic Acid Methyl Ester SCHEMBL28490425 | 0.88 | ALDH1A1 (0.59) | — | |
| Chloroform SCHEMBL11206739 | 0.85 | HCAR2 (0.48) | — | |
| Glycolic Acid SCHEMBL11022333 | 0.81 | HCAR2 (0.43) | — | |
| SCHEMBL9339577 | 0.79 | TSHR (0.42) | — | |
| Methyl Alcohol SCHEMBL7551458 | 0.75 | HCAR2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7169950-B2 | Method for producing monocarbonyl compounds or biscarbonyl compounds or hydroxyl compounds | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2007-01-30 | — | — | US | disclosed |
| US-20040073041-A1 | Method for producing monocarbonyl compounds or biscarbonyl compounds or hydroxyl compounds | DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) | 2004-04-15 | — | — | US | disclosed |
| US-4952291-A | MICROWAVING TO DECOMPOSE HEMIACETALS AND HYDRATED, REMOVAL OF BY-PRODUCTS WITH ABSORBENT | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-08-28 | — | — | US | disclosed |