⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19992646 | 0.74 | — | — | |
| SCHEMBL20080868 | 0.71 | — | — | |
| SCHEMBL16590870 | 0.71 | MPO (0.35) | — | |
| SCHEMBL14685634 | 0.71 | PTPN1 (0.37) | — | |
| SCHEMBL18025431 | 0.69 | — | — | |
| SCHEMBL6902342 | 0.69 | — | — | |
| SCHEMBL13879710 | 0.68 | NFE2L2 (0.32) | — | |
| SCHEMBL17656472 | 0.68 | ALDH1A1 (0.44) | — | |
| SCHEMBL19375357 | 0.67 | PARP10 (0.33) | — | |
| SCHEMBL19052298 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022039460-A1 | IMIDAZOLQUINOLINE OR BENZOINDAZOLONE COMPOUND AND INTERMEDIATE FOR PREPARING SAME | 주식회사 엘마이토테라퓨틱스 | 2022-02-24 | — | — | WO | disclosed |
| EP-2313384-B1 | PHENYL-ALKYL PIPERAZINES HAVING A MODULATING ACTIVITY OF TNF | SANOFI SA (FR) | 2013-09-18 | — | — | EP | disclosed |
| EP-2412711-A1 | INDAZOLEPROPIONIC ACID AMIDE COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2012-02-01 | — | — | EP | disclosed |
| EP-1773770-B1 | INDOLE-2-CARBOXAMIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS | RICHTER GEDEON NYRT (HU) | 2009-04-01 | — | — | EP | disclosed |