⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL344526 | 0.81 | CYP2C9 (0.72) | — | |
| SCHEMBL323253 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL16497585 | 0.78 | CYP2C19 (0.95) | — | |
| SCHEMBL28656687 | 0.78 | CYP2C19 (0.95) | — | |
| SCHEMBL65141 | 0.78 | CYP2C19 (0.95) | — | |
| SCHEMBL1231146 | 0.78 | CYP2C19 (0.95) | — | |
| SCHEMBL347138 | 0.78 | CYP2C19 (0.68) | — | |
| Bromide SCHEMBL38656355 | 0.78 | CYP2C9 (0.68) | — | |
| SCHEMBL65120 | 0.78 | CYP2C19 (0.68) | — | |
| SCHEMBL2182907 | 0.76 | TDP1 (0.82) | — |
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-20190292130-A1 | CATIONIC LIPIDS FOR NUCLEIC ACID DELIVERY AND PREPARATION THEREOF | RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) | 2019-09-26 | — | — | US | disclosed |
| EP-1831198-B1 | PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS | ASTRAZENECA AB (SE) | 2009-04-08 | — | — | EP | disclosed |