⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14738380 | 0.79 | — | — | |
| SCHEMBL21570099 | 0.79 | — | — | |
| SCHEMBL15001264 | 0.79 | — | — | |
| SCHEMBL14737365 | 0.79 | — | — | |
| SCHEMBL14737364 | 0.79 | — | — | |
| SCHEMBL21576489 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL25255299 | 0.77 | FFAR3 (0.48) | — | |
| SCHEMBL15200318 | 0.76 | — | — | |
| SCHEMBL17210453 | 0.76 | — | — | |
| SCHEMBL17298612 | 0.75 | FFAR3 (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-9458104-B2 | Carboxamide or sulfonamide substituted nitrogen-containing 5-membered heterocycles as modulators for the orphan nuclear receptor RORγ | PHENEX PHARMACEUTICALS AG (DE) | 2016-10-04 | — | — | US | disclosed |
| US-20150344423-A1 | CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA | PHENEX PHARMACEUTICALS AG (DE) | 2015-12-03 | — | — | US | disclosed |