⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19879321 | 0.78 | CA1 (0.33) | — | |
| SCHEMBL20166799 | 0.76 | — | — | |
| SCHEMBL17511352 | 0.76 | — | — | |
| SCHEMBL646328 | 0.76 | — | — | |
| SCHEMBL5800026 | 0.76 | — | — | |
| SCHEMBL18245552 | 0.76 | — | — | |
| SCHEMBL3585566 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL711729 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL3586435 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL28305841 | 0.69 | HSD17B10 (0.41) | — |
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-2981536-B1 | N-PHENYL-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B | JANSSEN SCIENCES IRELAND UC (IE) | 2017-06-14 | — | — | EP | disclosed |