⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL377539 | 1.00 | — | — | |
| SCHEMBL12189491 | 1.00 | — | — | |
| Methane SCHEMBL1903352 | 0.98 | — | — | |
| Ethane SCHEMBL1907291 | 0.95 | ALDH1A1 (0.57) | — | |
| Butane SCHEMBL10488964 | 0.91 | ALDH1A1 (0.53) | — | |
| Acrylic Acid SCHEMBL15421066 | 0.88 | ALDH1A1 (0.50) | — | |
| Acrylic Acid SCHEMBL31248113 | 0.88 | ALDH1A1 (0.50) | — | |
| Propene SCHEMBL1151810 | 0.88 | ALDH1A1 (0.55) | — | |
| Ether SCHEMBL235383 | 0.88 | ALDH1A1 (0.50) | — | |
| Methacrylic Acid SCHEMBL27912033 | 0.86 | ALDH1A1 (0.68) | — |
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-109929078-A | A kind of high performance metal protection lotion and preparation method thereof | 四川达威科技股份有限公司 | 2019-06-25 | — | — | CN | disclosed |
| CN-103555155-A | High-performance high-decoration environment-friendly automobile baking finish coat and preparation method thereof | ANQING LINGHU PAINT CO LTD | 2014-02-05 | — | — | CN | disclosed |