⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23278984 | 1.00 | — | — | |
| SCHEMBL23894065 | 1.00 | — | — | |
| SCHEMBL23551975 | 0.91 | PLA2G4A (0.31) | — | |
| SCHEMBL15033314 | 0.91 | PLA2G4A (0.31) | — | |
| SCHEMBL23552006 | 0.90 | ABCB1 (0.35) | — | |
| SCHEMBL18929184 | 0.90 | ABCB1 (0.35) | — | |
| SCHEMBL19293059 | 0.89 | ABCB1 (0.34) | — | |
| SCHEMBL20393462 | 0.88 | — | — | |
| SCHEMBL19147528 | 0.88 | — | — | |
| SCHEMBL23894053 | 0.87 | — | — |
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-2017134547-A1 | TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION | PFIZER INC. (US) | 2017-08-10 | — | — | WO | disclosed |