⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21175630 | 0.89 | — | — | |
| SCHEMBL27870168 | 0.88 | — | — | |
| SCHEMBL28097088 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL13362092 | 0.87 | CA12 (0.31) | — | |
| SCHEMBL28888506 | 0.86 | LMNA (0.36) | — | |
| SCHEMBL28172341 | 0.86 | NAAA (0.31) | — | |
| SCHEMBL2143137 | 0.85 | — | — | |
| SCHEMBL35730 | 0.85 | — | — | |
| SCHEMBL16909902 | 0.85 | CA2 (0.31) | — | |
| SCHEMBL5481797 | 0.83 | ALDH1A1 (0.35) | — |
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-110024174-A | Cathode for electrochemical cell | 奥克斯能源有限公司 | 2019-07-16 | — | — | CN | disclosed |
| CN-107787317-A | The method that hydrogen chloride for chemical reaction is provided | 科思创德国股份有限公司 | 2018-03-09 | — | — | CN | disclosed |
| CN-106458842-A | Methods for producing chemical products with operation interruptions | 科思创德国股份有限公司 | 2017-02-22 | — | — | CN | disclosed |