⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22996399 | 0.86 | — | — | |
| SCHEMBL9504112 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL19605831 | 0.78 | — | — | |
| SCHEMBL10798478 | 0.72 | ACHE (0.30) | — | |
| Water SCHEMBL28363938 | 0.70 | — | — | |
| SCHEMBL10284959 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL27902430 | 0.68 | — | — | |
| Bromide SCHEMBL28587721 | 0.68 | — | — | |
| Water SCHEMBL28164752 | 0.68 | — | — | |
| Iodide SCHEMBL28164750 | 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-2017134547-A1 | TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION | PFIZER INC. (US) | 2017-08-10 | — | — | WO | disclosed |