⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL622611 | 0.69 | — | — | |
| SCHEMBL8913613 | 0.69 | — | — | |
| SCHEMBL4969764 | 0.65 | — | — | |
| SCHEMBL9713830 | 0.63 | — | — | |
| SCHEMBL131822 | 0.63 | — | — | |
| SCHEMBL8728842 | 0.62 | — | — | |
| SCHEMBL133874 | 0.62 | CYP19A1 (0.30) | — | |
| SCHEMBL9713932 | 0.62 | DPP4 (0.32) | — | |
| SCHEMBL4675178 | 0.62 | CYP19A1 (0.30) | — | |
| SCHEMBL4671938 | 0.62 | CYP19A1 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5633364-A | N4 -substituted 2'-deoxycytidine compounds, oligonucleotides including N4 -labeled 2'-deoxycytidines, and a process for making oligonucleotides with N-modified 2'-deoxycytidines | AMOCO CORPORATION (US) | 1997-05-27 | — | — | US | claimed |