⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12898291 | 0.83 | HIF1A (0.39) | — | |
| SCHEMBL28786681 | 0.77 | PLA2G1B (0.34) | — | |
| SCHEMBL26688339 | 0.76 | — | — | |
| SCHEMBL4940792 | 0.76 | — | — | |
| SCHEMBL7154492 | 0.74 | — | — | |
| SCHEMBL7309691 | 0.74 | — | — | |
| SCHEMBL18752814 | 0.74 | — | — | |
| SCHEMBL4177076 | 0.74 | — | — | |
| SCHEMBL9810152 | 0.73 | — | — | |
| SCHEMBL1225888 | 0.73 | S1PR2 (0.38) | — |
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-2015155976-A1 | (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE | 第一三共株式会社 | 2015-10-15 | — | — | WO | disclosed |