⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9112925 | 1.00 | — | — | |
| SCHEMBL20307667 | 0.83 | — | — | |
| SCHEMBL6575887 | 0.75 | AKR1C3 (0.41) | — | |
| SCHEMBL9133020 | 0.74 | — | — | |
| SCHEMBL17844726 | 0.73 | TLK2 (0.37) | — | |
| SCHEMBL4796944 | 0.72 | NPC1 (0.38) | — | |
| Acetic Acid SCHEMBL11148603 | 0.72 | TLK2 (0.39) | — | |
| SCHEMBL10670137 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL5082 | 0.70 | — | — | |
| SCHEMBL16924648 | 0.70 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0670831-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-09-13 | — | — | EP | disclosed |
| WO-1995009159-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-04-06 | — | — | WO | disclosed |