⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6392292 | 0.71 | — | — | |
| SCHEMBL15941768 | 0.64 | — | — | |
| SCHEMBL34467249 | 0.59 | KCNA4 (0.33) | — | |
| SCHEMBL11598204 | 0.59 | — | — | |
| SCHEMBL10592329 | 0.57 | — | — | |
| SCHEMBL27623082 | 0.57 | KCNA4 (0.30) | — | |
| SCHEMBL29649235 | 0.48 | MEN1 (0.75) | — | |
| SCHEMBL651428 | 0.48 | MEN1 (0.75) | — | |
| SCHEMBL35210236 | 0.47 | — | — | |
| SCHEMBL272906 | 0.47 | MEN1 (0.42) | — |
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-2121706-A1 | TETRAHYDROQUINOLINE DERIVATIVES AND USE OF SAME FOR TREATING CANCER | Merck Patent GmbH (DE) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008113456-A1 | TETRAHYDROQUINOLINE DERIVATIVES AND USE OF SAME FOR TREATING CANCER | MERCK PATENT GMBH (DE) | 2008-09-25 | — | — | WO | disclosed |
| WO-2002035580-A2 | THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES | MOLECULAR ELECTRONICS CORPORATION (US) | 2002-05-02 | — | — | WO | disclosed |