⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12647089 | 1.00 | — | — | |
| SCHEMBL284306 | 0.78 | — | — | |
| SCHEMBL805509 | 0.78 | — | — | |
| SCHEMBL28003704 | 0.78 | — | — | |
| SCHEMBL384942 | 0.78 | — | — | |
| SCHEMBL974234 | 0.64 | — | — | |
| SCHEMBL656852 | 0.64 | — | — | |
| SCHEMBL1911234 | 0.64 | — | — | |
| SCHEMBL16221606 | 0.64 | — | — | |
| SCHEMBL14216608 | 0.64 | — | — |
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 |