⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL146425 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL2969949 | 0.95 | — | — | |
| Ethane SCHEMBL27515406 | 0.95 | ALDH1A1 (0.48) | — | |
| Ethylene SCHEMBL1626809 | 0.95 | ALDH1A1 (0.48) | — | |
| Bicarbonate SCHEMBL28015990 | 0.92 | ALDH1A1 (0.46) | — | |
| Dimethylamine SCHEMBL27622469 | 0.92 | ALDH1A1 (0.46) | — | |
| Acetone SCHEMBL28038069 | 0.92 | ALDH1A1 (0.52) | — | |
| Ethylene Glycol SCHEMBL16238450 | 0.90 | ALDH1A1 (0.44) | — | |
| Trimethylammonium SCHEMBL27587058 | 0.90 | ALDH1A1 (0.44) | — | |
| SCHEMBL10425309 | 0.88 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109820621-A | A kind of composite artificial cornea and preparation method thereof | 广州锐澄医疗技术有限公司 | 2019-05-31 | — | — | CN | disclosed |
| CN-104662198-B | Conductive material and its manufacture method | DIC株式会社 | 2017-06-13 | — | — | CN | disclosed |
| CN-104662198-A | Electrically conductive material and method for producing same | DAINIPPON INK & AMP | 2015-05-27 | — | — | CN | disclosed |