⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6765947 | 0.93 | — | — | |
| SCHEMBL6766792 | 0.92 | — | — | |
| SCHEMBL6770317 | 0.90 | — | — | |
| SCHEMBL6766580 | 0.89 | MEN1 (0.44) | — | |
| SCHEMBL6775620 | 0.89 | ALDH1A1 (0.39) | — | |
| SCHEMBL6766840 | 0.88 | MEN1 (0.38) | — | |
| SCHEMBL6766595 | 0.86 | — | — | |
| SCHEMBL6769674 | 0.85 | — | — | |
| SCHEMBL6771596 | 0.85 | MMP13 (0.41) | — | |
| SCHEMBL6952693 | 0.84 | MAPT (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |