⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17986699 | 0.81 | CTSK (0.37) | — | |
| SCHEMBL17973548 | 0.79 | — | — | |
| SCHEMBL17973550 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL17973544 | 0.79 | METAP2 (0.35) | — | |
| SCHEMBL17973546 | 0.75 | MME (0.41) | — | |
| SCHEMBL20669523 | 0.75 | CTSK (0.38) | — | |
| SCHEMBL14123552 | 0.68 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL28272672 | 0.66 | CA1 (0.44) | — | |
| SCHEMBL16579343 | 0.66 | CA1 (0.44) | — | |
| SCHEMBL15171015 | 0.65 | MMP2 (0.31) | — |
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-20160222430-A1 | D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION | 2016-08-04 | — | — | US | disclosed |