⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28801076 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL3281192 | 0.74 | — | — | |
| SCHEMBL9774566 | 0.74 | — | — | |
| SCHEMBL2106584 | 0.74 | — | — | |
| SCHEMBL5681785 | 0.72 | — | — | |
| SCHEMBL22802100 | 0.72 | — | — | |
| SCHEMBL18362450 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL7495032 | 0.72 | — | — | |
| SCHEMBL16407594 | 0.69 | — | — | |
| SCHEMBL22557813 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3896064-A1 | 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVES AS CANCER OSAKA THYROID (COT) MODULATORS FOR TREATING CROHN'S DISEASE AND ULCERATIVE COLITIS | Gilead Sciences, Inc. (US) | 2021-10-20 | — | — | EP | disclosed |