⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1419531 | 0.97 | — | — | |
| SCHEMBL27646833 | 0.97 | ALOX15 (0.46) | — | |
| Urea SCHEMBL28193424 | 0.94 | ALOX15 (0.43) | — | |
| Methacrylic Acid SCHEMBL28133275 | 0.82 | TDP1 (0.39) | — | |
| SCHEMBL28003106 | 0.77 | GAA (0.41) | — | |
| SCHEMBL7859390 | 0.76 | — | — | |
| SCHEMBL1756689 | 0.76 | — | — | |
| SCHEMBL37673 | 0.74 | — | — | |
| SCHEMBL1419529 | 0.74 | — | — | |
| SCHEMBL1150638 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111479823-A | Peptide conjugate CGRP receptor antagonist and preparation method and application thereof | 奥克兰联合服务有限公司 | 2020-07-31 | — | — | CN | disclosed |