⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20341020 | 0.79 | — | — | |
| SCHEMBL12854187 | 0.78 | PGR (0.32) | — | |
| SCHEMBL25141974 | 0.76 | IDO1 (0.36) | — | |
| SCHEMBL18790863 | 0.76 | IDO1 (0.34) | — | |
| SCHEMBL21419563 | 0.74 | ACHE (0.35) | — | |
| SCHEMBL22280519 | 0.74 | ACHE (0.35) | — | |
| SCHEMBL22567310 | 0.70 | — | — | |
| SCHEMBL26764676 | 0.69 | — | — | |
| SCHEMBL19732444 | 0.69 | IRAK4 (0.34) | — | |
| SCHEMBL25905319 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018116178-A1 | ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS | NOVARTIS AG (CH) | 2018-06-28 | — | — | WO | disclosed |