⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1577314 | 0.66 | S1PR1 (0.40) | — | |
| SCHEMBL4882335 | 0.66 | TRPM8 (0.33) | — | |
| SCHEMBL4982303 | 0.62 | NQO2 (0.36) | — | |
| SCHEMBL3773751 | 0.62 | NOTUM (0.34) | — | |
| SCHEMBL3767516 | 0.62 | — | — | |
| SCHEMBL10179832 | 0.62 | S1PR1 (0.34) | — | |
| SCHEMBL15240868 | 0.61 | — | — | |
| SCHEMBL14141943 | 0.61 | — | — | |
| SCHEMBL3293422 | 0.60 | — | — | |
| SCHEMBL15608082 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2116538-B1 | CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES | MITSUBISHI TANABE PHARMA CORP (JP) | 2013-03-27 | — | — | EP | disclosed |
| US-8367695-B2 | Condensed tetrahydroquinoline derivative and use thereof for medical purposes | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2013-02-05 | — | — | US | disclosed |
| US-20100063055-A1 | CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-03-11 | — | — | US | disclosed |
| EP-2116538-A1 | CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES | Mitsubishi Tanabe Pharma Corporation (JP) | 2009-11-11 | — | — | EP | disclosed |