⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11553428 | 0.88 | — | — | |
| SCHEMBL12337627 | 0.78 | — | — | |
| SCHEMBL22095983 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL15862119 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL15536151 | 0.74 | — | — | |
| SCHEMBL12086384 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL23183539 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL15777325 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL28463668 | 0.72 | — | — | |
| SCHEMBL11185164 | 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-20090069569-A1 | CYCLOADDITION OF AZIDES AND ALKYNES | INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) | 2009-03-12 | — | — | US | disclosed |