⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21867273 | 0.86 | RIPK1 (0.34) | — | |
| SCHEMBL10072131 | 0.78 | KMT2A (0.31) | — | |
| SCHEMBL20648797 | 0.76 | — | — | |
| SCHEMBL10072499 | 0.74 | — | — | |
| SCHEMBL25951745 | 0.72 | — | — | |
| SCHEMBL26382115 | 0.72 | HSD11B1 (0.34) | — | |
| SCHEMBL1697359 | 0.72 | KMT2A (0.33) | — | |
| SCHEMBL15498540 | 0.71 | KMT2A (0.30) | — | |
| SCHEMBL23945496 | 0.71 | — | — | |
| SCHEMBL26314852 | 0.71 | — | — |
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-9364449-B2 | Peptoid and synthetic oligomers, pharmaceutical compositions and methods of using same | NEW YORK UNIVERSITY (US) | 2016-06-14 | — | — | US | disclosed |