⚠ 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 | |
|---|---|---|---|---|
| Urea SCHEMBL31549840 | 0.68 | — | — | |
| SCHEMBL3623053 | 0.67 | LMNA (0.46) | — | |
| SCHEMBL11250233 | 0.67 | — | — | |
| SCHEMBL6783817 | 0.67 | — | — | |
| SCHEMBL28637339 | 0.64 | — | — | |
| SCHEMBL1647840 | 0.64 | — | — | |
| SCHEMBL2666224 | 0.64 | — | — | |
| SCHEMBL116271 | 0.64 | — | — | |
| SCHEMBL987302 | 0.64 | — | — | |
| SCHEMBL30995902 | 0.64 | ALDH1A1 (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111362881-A | Compound and preparation method thereof | 阿达玛马克西姆股份有限公司 | 2020-07-03 | — | — | CN | claimed |
| CN-111217759-A | Compound and preparation method thereof | 阿达玛马克西姆股份有限公司 | 2020-06-02 | — | — | CN | claimed |
| CN-111362881-A | Compound and preparation method thereof | 阿达玛马克西姆股份有限公司 | 2020-07-03 | — | — | CN | disclosed |
| CN-111217759-A | Compound and preparation method thereof | 阿达玛马克西姆股份有限公司 | 2020-06-02 | — | — | CN | disclosed |
| CN-106061972-B | 5-fluoro-4-imino-3- (alkyl/substituted alkyl) -1- (arylsulfonyl) -3, 4-dihydropyrimidin-2 (1H) -one and preparation method thereof | 阿达玛马克西姆股份有限公司 | 2020-01-17 | — | — | CN | disclosed |