⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23612488 | 0.78 | — | — | |
| SCHEMBL2781863 | 0.77 | SLC6A3 (0.35) | — | |
| SCHEMBL185384 | 0.75 | SLC6A3 (0.39) | — | |
| SCHEMBL23485486 | 0.72 | SLC6A3 (0.33) | — | |
| SCHEMBL2704280 | 0.64 | — | — | |
| SCHEMBL16751810 | 0.64 | SLC6A3 (0.32) | — | |
| SCHEMBL24413796 | 0.63 | — | — | |
| SCHEMBL1153373 | 0.61 | — | — | |
| SCHEMBL17586596 | 0.61 | — | — | |
| SCHEMBL7100903 | 0.61 | — | — |
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-20180125995-A1 | ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF | GENENTECH, INC. (US) | 2018-05-10 | — | — | US | disclosed |