⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1875470 | 0.74 | DUT (0.48) | — | |
| SCHEMBL779966 | 0.73 | TK1 (0.34) | — | |
| SCHEMBL3568613 | 0.73 | DUT (0.53) | — | |
| SCHEMBL2235268 | 0.72 | P2RY6 (0.36) | — | |
| SCHEMBL28868728 | 0.72 | P2RY2 (0.47) | — | |
| SCHEMBL781015 | 0.71 | — | — | |
| SCHEMBL30704070 | 0.70 | DUT (0.34) | — | |
| SCHEMBL6049676 | 0.70 | P2RY2 (0.38) | — | |
| SCHEMBL780954 | 0.67 | — | — | |
| SCHEMBL18049495 | 0.67 | SLC28A1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8809357-B2 | Compounds and derivatizations of DNAs and RNAs on the nucleobases of pyrimidines for function, structure and therapeutics | HUANG, ZHEN, DR. | 2014-08-19 | — | — | US | disclosed |
| US-20120070825-A1 | Novel Compounds and Derivatizations of DNAs and RNAs on the Nucleobases of Pyrimidines for Function, Structure and Therapeutics | SENA RESEARCH, INC. (US) | 2012-03-22 | — | — | US | disclosed |