⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23561304 | 0.85 | GAA (0.65) | — | |
| SCHEMBL182292 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL702983 | 0.79 | — | — | |
| SCHEMBL13850724 | 0.79 | — | — | |
| SCHEMBL12894561 | 0.77 | — | — | |
| SCHEMBL8042585 | 0.77 | GAA (0.54) | — | |
| SCHEMBL7434068 | 0.76 | GAA (0.52) | — | |
| SCHEMBL391332 | 0.75 | GAA (0.65) | — | |
| SCHEMBL3042437 | 0.74 | GAA (0.53) | — | |
| SCHEMBL402057 | 0.74 | GAA (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104603105-B | It is used as the formamide or nitrogenous 5 circle heterocycles of sulfonamide substitutions of orphan nuclear receptor ROR gamma modulators | 菲尼克斯药品股份公司 | 2017-09-08 | — | — | CN | disclosed |
| CN-104603105-A | Carboxamide or sulfonamide substituted nitrogen-containing 5-membered heterocycles as modulators for the orphan nuclear receptor ROR Gamma | PHENEX PHARMACEUTICALS AG | 2015-05-06 | — | — | CN | disclosed |