⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1190906 | 1.00 | — | — | |
| SCHEMBL1190904 | 1.00 | — | — | |
| SCHEMBL11249691 | 0.79 | — | — | |
| SCHEMBL11249689 | 0.79 | — | — | |
| SCHEMBL17764763 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL109549 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL109550 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL5985957 | 0.78 | — | — | |
| SCHEMBL5985953 | 0.78 | — | — | |
| SCHEMBL29045303 | 0.75 | — | — |
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-2017031209-A1 | TUBULYSIN ANALOGS AND METHODS | ENDOCYTE, INC. (US) | 2017-02-23 | — | — | WO | disclosed |