⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL779460 | 0.78 | — | — | |
| SCHEMBL8893283 | 0.78 | — | — | |
| SCHEMBL21791959 | 0.74 | — | — | |
| SCHEMBL219777 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL29279605 | 0.74 | — | — | |
| SCHEMBL17240322 | 0.74 | — | — | |
| SCHEMBL21399429 | 0.73 | — | — | |
| SCHEMBL12946279 | 0.72 | — | — | |
| SCHEMBL21399428 | 0.72 | — | — | |
| SCHEMBL4454832 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106831606-A | A kind of preparation method of the dihydrouracil of 5 trifluoromethyl 5,6 | 湖南有色郴州氟化学有限公司 | 2017-06-13 | — | — | CN | claimed |
| CN-106831606-B | A kind of preparation method of 5- trifluoromethyl -5,6- dihydrouracil | 湖南有色郴州氟化学有限公司 | 2019-02-22 | — | — | CN | disclosed |
| CN-106831606-B | A kind of preparation method of 5- trifluoromethyl -5,6- dihydrouracil | 湖南有色郴州氟化学有限公司 | 2019-02-22 | — | — | CN | disclosed |
| CN-106831606-A | A kind of preparation method of the dihydrouracil of 5 trifluoromethyl 5,6 | 湖南有色郴州氟化学有限公司 | 2017-06-13 | — | — | CN | disclosed |