⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9062759 | 0.73 | — | — | |
| SCHEMBL12569702 | 0.71 | — | — | |
| SCHEMBL19919293 | 0.71 | NOS1 (0.32) | — | |
| SCHEMBL24759321 | 0.67 | — | — | |
| SCHEMBL22728570 | 0.65 | — | — | |
| SCHEMBL13178469 | 0.65 | TSHR (0.30) | — | |
| Hydrochloric Acid SCHEMBL10778985 | 0.65 | ALDH1A1 (0.48) | — | |
| SCHEMBL27360136 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL465717 | 0.65 | ALDH1A1 (0.48) | — | |
| SCHEMBL8170679 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1904067-B2 | PHARMACEUTICAL FORMULATION OF CARBOXAMIDE HIV INTEGRASE INHIBITORS CONTAINING A RELEASE RATE CONTROLLING COMPOSITION | MERCK SHARP & DOHME (US) | 2017-10-11 | — | — | EP | disclosed |