⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12874228 | 0.83 | — | — | |
| SCHEMBL967530 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL927626 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL23625040 | 0.71 | — | — | |
| SCHEMBL10211375 | 0.71 | — | — | |
| SCHEMBL12874229 | 0.70 | NCF1 (0.41) | — | |
| SCHEMBL14275851 | 0.67 | — | — | |
| SCHEMBL6125031 | 0.66 | — | — | |
| SCHEMBL4763516 | 0.65 | — | — | |
| SCHEMBL26333361 | 0.65 | THRB (0.30) | — |
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 9 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 |
| US-20150175562-A1 | CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] | PHENEX PHARMACEUTICALS AG (DE) | 2015-06-25 | — | — | US | disclosed |
| US-20140349987-A1 | PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES | PHENEX PHARMACEUTICALS AG (DE) | 2014-11-27 | — | — | US | disclosed |
| US-20140288076-A1 | HETEROARYL COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2014-09-25 | — | — | US | disclosed |
| US-8778951-B2 | Heteroaryl compounds and their uses | NOVARTIS AG (CH) | 2014-07-15 | — | — | US | disclosed |
| US-20130172354-A1 | HETEROARYL COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2013-07-04 | — | — | US | disclosed |
| US-8415381-B2 | Heteroaryl compounds and their uses | NOVARTIS AG (CH) | 2013-04-09 | — | — | US | disclosed |
| US-20110028492-A1 | Heteroaryl Compounds and Their Uses | NOVARTIS AG (CH) | 2011-02-03 | — | — | US | disclosed |