⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2240481 | 0.82 | — | — | |
| SCHEMBL81728 | 0.82 | — | — | |
| SCHEMBL2584436 | 0.82 | — | — | |
| SCHEMBL8932115 | 0.67 | — | — | |
| SCHEMBL2975092 | 0.67 | — | — | |
| Water SCHEMBL23093704 | 0.67 | — | — | |
| Water SCHEMBL1900085 | 0.67 | — | — | |
| SCHEMBL20496976 | 0.67 | — | — | |
| SCHEMBL11156030 | 0.67 | — | — | |
| SCHEMBL28969677 | 0.67 | — | — |
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-105439813-B | The synthetic method of compound | 广州丹康医药生物有限公司 | 2017-10-27 | — | — | CN | disclosed |
| CN-107074726-A | The synthesis of novel anti-inflammatory compound | 广州丹康医药生物有限公司 | 2017-08-18 | — | — | CN | disclosed |
| CN-105439813-A | Synthetic method of compound | SHANGHAI HUFA CHEMICAL TECH CO LTD | 2016-03-30 | — | — | CN | disclosed |