⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22169516 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL20289729 | 0.72 | GAA (0.37) | — | |
| SCHEMBL14542881 | 0.71 | — | — | |
| SCHEMBL12651248 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL28946097 | 0.69 | CES1 (0.41) | — | |
| SCHEMBL14220406 | 0.69 | — | — | |
| SCHEMBL21252606 | 0.68 | — | — | |
| SCHEMBL128722 | 0.68 | CES1 (0.36) | — | |
| SCHEMBL11040950 | 0.67 | CES2 (0.32) | — | |
| SCHEMBL21251554 | 0.67 | — | — |
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-8389009-B2 | Spatial control of signal transduction | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2013-03-05 | — | — | US | disclosed |