⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9945767 | 0.79 | HSD11B1 (0.33) | — | |
| SCHEMBL16711606 | 0.76 | — | — | |
| SCHEMBL6714928 | 0.75 | SLC6A3 (0.37) | — | |
| SCHEMBL1697305 | 0.71 | — | — | |
| SCHEMBL21334351 | 0.70 | — | — | |
| SCHEMBL18306964 | 0.70 | — | — | |
| SCHEMBL12203400 | 0.69 | — | — | |
| SCHEMBL11656923 | 0.67 | NR1I2 (0.32) | — | |
| SCHEMBL17893058 | 0.65 | — | — | |
| SCHEMBL6714991 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3066082-B1 | 5,6,7,8-TETRAHYDRO-5,8-METHANOCINNOLINE DERIVATIVES AS RORC MODULATORS FOR THE TREATMENT OF AUTOIMMUNE DISEASES | HOFFMANN LA ROCHE (CH) | 2017-12-20 | — | — | EP | disclosed |
| WO-2015067575-A1 | 5,6,7,8-TETRAHYDRO-5,8-METHANOCINNOLINE DERIVATIVES AS RORC MODULATORS FOR THE TREATMENT OF AUTOIMMUNE DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-05-14 | — | — | WO | disclosed |