⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21955432 | 0.78 | — | — | |
| SCHEMBL27995063 | 0.78 | — | — | |
| SCHEMBL29646187 | 0.78 | — | — | |
| SCHEMBL10955792 | 0.78 | — | — | |
| SCHEMBL15423564 | 0.78 | — | — | |
| SCHEMBL11167057 | 0.76 | — | — | |
| SCHEMBL11941447 | 0.76 | — | — | |
| SCHEMBL27811554 | 0.76 | — | — | |
| SCHEMBL8253722 | 0.76 | F10 (0.39) | — | |
| SCHEMBL19348570 | 0.74 | NPSR1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006026053-A1 | CATALYTICS ASYMMETRIC ACTIVATION OF UNACTIVATED C-H BONDS, AND COMPOUNDS RELATED THERETO | BRANDEIS UNIVERSITY (US) | 2006-03-09 | — | — | WO | disclosed |