⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27688981 | 0.74 | — | — | |
| SCHEMBL2672012 | 0.74 | — | — | |
| SCHEMBL276169 | 0.67 | — | — | |
| SCHEMBL27924710 | 0.67 | CYP2C19 (0.45) | — | |
| SCHEMBL28781482 | 0.67 | CYP2C19 (0.40) | — | |
| Fluoride SCHEMBL775340 | 0.65 | CYP2C19 (0.39) | — | |
| Fluoride SCHEMBL15416673 | 0.65 | — | — | |
| SCHEMBL4095064 | 0.65 | — | — | |
| SCHEMBL16626836 | 0.65 | — | — | |
| SCHEMBL497317 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170362259-A1 | PROCESS AND INTERMEDIATES FOR MAKING TUBULYSIN ANALOGS | BRISTOL-MYERS SQUIBB COMPANY | 2017-12-21 | — | — | US | disclosed |