⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL388497 | 0.72 | — | — | |
| SCHEMBL13862155 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL14409980 | 0.71 | — | — | |
| SCHEMBL28270615 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL856276 | 0.69 | — | — | |
| SCHEMBL1454569 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL28031350 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL28771706 | 0.69 | — | — | |
| SCHEMBL172783 | 0.69 | — | — | |
| SCHEMBL992411 | 0.69 | — | — |
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-8318736-B2 | HIV inhibiting 5,6-substituted pyrimidines | JANSSEN R&D IRELAND (IE) | 2012-11-27 | — | — | US | disclosed |
| US-20100261722-A1 | HIV INHIBITING 5, 6-SUBSTITUTED PYRIMIDINES | TIBOTEC PHARMACEUTICALS LTD. | 2010-10-14 | — | — | US | disclosed |