⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27529688 | 0.82 | SLC6A1 (0.31) | — | |
| SCHEMBL1847750 | 0.80 | — | — | |
| SCHEMBL337230 | 0.80 | — | — | |
| SCHEMBL6630349 | 0.78 | — | — | |
| SCHEMBL27260254 | 0.78 | — | — | |
| SCHEMBL3364075 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL720508 | 0.78 | SLC6A1 (0.38) | — | |
| SCHEMBL2921164 | 0.78 | — | — | |
| SCHEMBL5620991 | 0.75 | — | — | |
| SCHEMBL27994566 | 0.75 | HDAC8 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1730152-B1 | TETRAHYDROQUINOLINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME | MITSUBISHI TANABE PHARMA CORP (JP) | 2012-05-02 | — | — | EP | claimed |
| US-20210040062-A1 | AZOLE-SUBSTITUTED PYRIDINE COMPOUND | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2021-02-11 | — | — | US | disclosed |
| EP-3418276-A1 | AZOLE-SUBSTITUTED PYRIDINE COMPOUND | Taisho Pharmaceutical Co., Ltd. (JP) | 2018-12-26 | — | — | EP | disclosed |