⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11518161 | 0.76 | — | — | |
| SCHEMBL7166527 | 0.73 | — | — | |
| SCHEMBL2472610 | 0.69 | — | — | |
| SCHEMBL28609118 | 0.67 | — | — | |
| Sulfuric Acid SCHEMBL8644374 | 0.66 | — | — | |
| SCHEMBL21990337 | 0.65 | — | — | |
| SCHEMBL30336238 | 0.65 | — | — | |
| SCHEMBL658658 | 0.64 | — | — | |
| SCHEMBL29042828 | 0.64 | — | — | |
| SCHEMBL3816627 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040224969-A1 | Salts of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid compounds | GRUENENTHAL GMBH (DE) | 2004-11-11 | — | — | US | disclosed |
| US-6699877-B2 | TREATING PAIN, MIGRAINE, AND VARIOUS OTHER DISEASES | GRUENENTHAL GMBH (DE) | 2004-03-02 | — | — | US | disclosed |
| US-20030087926-A1 | Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives | GRUENENTHAL GMBH | 2003-05-08 | — | — | US | disclosed |