⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11267902 | 0.76 | — | — | |
| SCHEMBL14161083 | 0.76 | — | — | |
| SCHEMBL7082363 | 0.74 | — | — | |
| SCHEMBL19139562 | 0.71 | — | — | |
| SCHEMBL2761871 | 0.70 | — | — | |
| SCHEMBL28378070 | 0.69 | — | — | |
| SCHEMBL2503704 | 0.69 | — | — | |
| SCHEMBL27705308 | 0.68 | — | — | |
| SCHEMBL1829760 | 0.68 | GRM1 (0.38) | — | |
| SCHEMBL1829757 | 0.68 | GRM1 (0.38) | — |
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-10294271-B1 | Compound, composition, and method for detecting caspase activity and/or apoptosis | VANDERBILT UNIVERSITY (US) | 2019-05-21 | — | — | US | disclosed |