⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid Methyl Ester SCHEMBL28822191 | 0.92 | ALDH1A1 (0.56) | — | |
| Methane SCHEMBL205249 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL203137 | 0.81 | — | — | |
| SCHEMBL27805582 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL11579035 | 0.75 | ALDH1A1 (0.39) | — | |
| Methane SCHEMBL29183982 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL2293086 | 0.71 | — | — | |
| Butane SCHEMBL6454649 | 0.71 | ALDH1A1 (0.41) | — | |
| Acetamide SCHEMBL28414259 | 0.69 | — | — | |
| Butadiene SCHEMBL17498997 | 0.69 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114901725-B | Polydiorganosiloxane preparation | 美国陶氏有机硅公司 | 2023-09-08 | — | — | CN | claimed |
| CN-114901725-B | Polydiorganosiloxane preparation | 美国陶氏有机硅公司 | 2023-09-08 | — | — | CN | disclosed |