⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30595410 | 0.75 | — | — | |
| SCHEMBL4460537 | 0.72 | — | — | |
| SCHEMBL18722723 | 0.72 | — | — | |
| SCHEMBL3238830 | 0.72 | — | — | |
| SCHEMBL4460539 | 0.72 | — | — | |
| SCHEMBL22454044 | 0.72 | — | — | |
| SCHEMBL13303878 | 0.70 | — | — | |
| SCHEMBL18805876 | 0.70 | PYGB (0.38) | — | |
| SCHEMBL18805894 | 0.70 | PYGB (0.38) | — | |
| SCHEMBL20888665 | 0.69 | IDUA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180016300-A1 | COMPOUNDS, LINKER-DRUGS AND LIGAND-DRUG CONJUGATES | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 2018-01-18 | — | — | US | disclosed |
| US-20170119902-A1 | ANTIBODY-DRUG CONJUGATE (ADC) AND METHOD FOR FORMING THE SAME | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 2017-05-04 | — | — | US | disclosed |