⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21038294 | 0.86 | TSHR (0.32) | — | |
| SCHEMBL21134560 | 0.85 | SHBG (0.36) | — | |
| SCHEMBL1145229 | 0.76 | — | — | |
| SCHEMBL5206969 | 0.76 | — | — | |
| SCHEMBL22626587 | 0.72 | — | — | |
| SCHEMBL5209172 | 0.72 | — | — | |
| SCHEMBL2286942 | 0.72 | — | — | |
| SCHEMBL15014637 | 0.72 | — | — | |
| SCHEMBL13179798 | 0.72 | — | — | |
| SCHEMBL8367139 | 0.72 | — | — |
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-9951007-B2 | 2-methylthiopyrrolidines and their use for modulating bacterial quorum sensing | THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) | 2018-04-24 | — | — | US | disclosed |