⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17635988 | 0.79 | — | — | |
| SCHEMBL2014857 | 0.76 | — | — | |
| SCHEMBL888166 | 0.70 | — | — | |
| SCHEMBL6448143 | 0.69 | — | — | |
| SCHEMBL1070929 | 0.67 | — | — | |
| SCHEMBL14184071 | 0.67 | — | — | |
| SCHEMBL8925633 | 0.67 | — | — | |
| SCHEMBL25284084 | 0.64 | — | — | |
| SCHEMBL1944457 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL2637991 | 0.64 | TSHR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012135669-A1 | NITROGEN RING CONTAINING COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS | WEINGARTEN M DAVID (US) | 2012-10-04 | — | — | WO | disclosed |