⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19999914 | 0.90 | CYP19A1 (0.33) | — | |
| SCHEMBL19999919 | 0.90 | — | — | |
| SCHEMBL22873355 | 0.85 | — | — | |
| SCHEMBL19999937 | 0.85 | — | — | |
| SCHEMBL18107029 | 0.85 | — | — | |
| SCHEMBL18107027 | 0.85 | — | — | |
| SCHEMBL19999922 | 0.83 | — | — | |
| SCHEMBL19999943 | 0.82 | — | — | |
| SCHEMBL18107047 | 0.82 | — | — | |
| SCHEMBL19999921 | 0.82 | — | — |
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-20180086760-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | MUTABILIS (FR) | 2018-03-29 | — | — | US | disclosed |