⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14294948 | 1.00 | HTR5A (0.43) | — | |
| SCHEMBL28590347 | 0.88 | PARP10 (0.42) | — | |
| SCHEMBL18323926 | 0.83 | HTR5A (0.39) | — | |
| SCHEMBL7865571 | 0.82 | ALOX15 (0.63) | — | |
| SCHEMBL19657741 | 0.81 | GAA (0.41) | — | |
| SCHEMBL16602943 | 0.81 | — | — | |
| SCHEMBL6907761 | 0.80 | PDE3B (0.63) | — | |
| SCHEMBL6906460 | 0.80 | HTR5A (0.44) | — | |
| SCHEMBL16089354 | 0.80 | HTR5A (0.44) | — | |
| SCHEMBL19142112 | 0.80 | PARP10 (0.42) | — |
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 |