⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22402143 | 0.96 | — | — | |
| SCHEMBL19965253 | 0.91 | — | — | |
| SCHEMBL22171617 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL27888562 | 0.83 | CYP3A4 (0.31) | — | |
| SCHEMBL18973918 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL27905245 | 0.79 | MEN1 (0.34) | — | |
| SCHEMBL27888477 | 0.79 | MEN1 (0.34) | — | |
| SCHEMBL14838373 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL8369366 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL19274235 | 0.79 | HSD17B10 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3674412-A1 | NUCLEIC ACID SEQUENCING BY NANOPORE DETECTION OF TAG MOLECULES | The Trustees of Columbia University in the City of New York (US) | 2020-07-01 | — | — | EP | disclosed |