⚠ 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 | |
|---|---|---|---|---|
| Pyrimidine SCHEMBL9216454 | 0.83 | TSHR (0.35) | — | |
| Pyrimidine SCHEMBL27645497 | 0.80 | — | — | |
| Pyrimidine SCHEMBL27571435 | 0.78 | — | — | |
| Pyrimidine SCHEMBL10646 | 0.78 | TSHR (0.50) | — | |
| Pyrimidine SCHEMBL1846 | 0.78 | — | — | |
| Pyrimidine SCHEMBL19437633 | 0.78 | TSHR (0.50) | — | |
| Pyrimidine SCHEMBL3320082 | 0.75 | TSHR (0.30) | — | |
| Pyrimidine SCHEMBL2218253 | 0.75 | TSHR (0.47) | — | |
| Pyrimidine SCHEMBL19876786 | 0.74 | TSHR (0.40) | — | |
| Pyrimidine SCHEMBL28761784 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999029702-A2 | METHOD FOR SYNTHESIZING 9-(2,3-DIDEOXY-2-FLUORO-β-D-THREO-PENTOFURANOSYL)ADENINE (β-FddA) | THE GOVERNMENT OF THE UNITED STATES OF AMERICA REPPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1999-06-17 | — | — | WO | disclosed |