⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16197723 | 0.90 | — | — | |
| SCHEMBL4310798 | 0.76 | MEN1 (0.32) | — | |
| SCHEMBL224140 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL5545778 | 0.73 | — | — | |
| SCHEMBL16991723 | 0.71 | KMT2A (0.49) | — | |
| SCHEMBL4720974 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL1132975 | 0.70 | CA12 (0.31) | — | |
| SCHEMBL560512 | 0.70 | EPHX1 (0.31) | — | |
| SCHEMBL657409 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL559019 | 0.69 | PIN1 (0.33) | — |
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-20160068566-A1 | DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS | PIERRE FABRE MEDICAMENT (FR) | 2016-03-10 | — | — | US | disclosed |