⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2058061 | 0.77 | — | — | |
| SCHEMBL17122014 | 0.70 | — | — | |
| SCHEMBL27937586 | 0.69 | — | — | |
| SCHEMBL20877608 | 0.67 | TSHR (0.44) | — | |
| SCHEMBL133065 | 0.62 | — | — | |
| SCHEMBL21216043 | 0.61 | — | — | |
| SCHEMBL16158922 | 0.60 | MVD (0.42) | — | |
| SCHEMBL3052525 | 0.60 | CYP2C19 (0.32) | — | |
| Hydrochloric Acid SCHEMBL23045021 | 0.59 | — | — | |
| Ammonia Solution, Strong SCHEMBL62499 | 0.59 | — | — |
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-20160250237-A1 | SOFT PROTEASE INHIBITORS AND PRO-SOFT FORMS THEREOF | BACH BIOSCIENCES, LLC | 2016-09-01 | — | — | US | disclosed |