⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19135637 | 1.00 | — | — | |
| SCHEMBL18656563 | 0.82 | GAA (0.30) | — | |
| SCHEMBL19129202 | 0.79 | CYP2D6 (0.33) | — | |
| SCHEMBL16204432 | 0.78 | — | — | |
| SCHEMBL18656567 | 0.78 | — | — | |
| SCHEMBL10265045 | 0.78 | — | — | |
| SCHEMBL3308565 | 0.78 | PABPC1 (0.42) | — | |
| SCHEMBL14272690 | 0.78 | — | — | |
| SCHEMBL3305308 | 0.76 | PABPC1 (0.44) | — | |
| SCHEMBL12944468 | 0.76 | PABPC1 (0.44) | — |
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-20200407351-A1 | New antimicrobial compounds, their use for the treatment of mammalian infections and a new metabolic mechanism | KLINIKUM DER UNIVERSITAT MUNCHEN (DE) | 2020-12-31 | — | — | US | disclosed |