⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20133768 | 0.75 | PRKCI (0.32) | — | |
| SCHEMBL24271651 | 0.70 | — | — | |
| SCHEMBL8574363 | 0.70 | POLB (0.53) | — | |
| SCHEMBL17771905 | 0.69 | GAA (0.37) | — | |
| SCHEMBL22927509 | 0.69 | KDM4E (0.40) | — | |
| Hydrochloric Acid SCHEMBL28447296 | 0.68 | POLB (0.52) | — | |
| SCHEMBL21297349 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL4089566 | 0.67 | CYP1A2 (0.32) | — | |
| SCHEMBL18673454 | 0.67 | KDM4C (0.33) | — | |
| SCHEMBL18673598 | 0.67 | NNMT (0.34) | — |
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-2022035303-A1 | NOVEL DIOXOLOISOQUINOLINONE DERIVATIVES AND USE THEREOF | HANMI PHARMACEUTICAL CO., LTD. (KR) | 2022-02-17 | — | — | WO | disclosed |