⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14364554 | 0.85 | CYP11B1 (0.38) | — | |
| SCHEMBL14340663 | 0.80 | NOTUM (0.35) | — | |
| SCHEMBL14340702 | 0.77 | KDM4E (0.34) | — | |
| SCHEMBL14340660 | 0.75 | ALOX5 (0.38) | — | |
| SCHEMBL13690270 | 0.75 | POLB (0.33) | — | |
| SCHEMBL13452246 | 0.73 | CYP1A2 (0.33) | — | |
| SCHEMBL13690271 | 0.70 | P2RX3 (0.31) | — | |
| SCHEMBL20150089 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL13843676 | 0.67 | L3MBTL1 (0.40) | — | |
| SCHEMBL14340651 | 0.63 | — | — |
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-20070275946-A1 | Cytokine Inhibitors | AUNGST RONALD A | 2007-11-29 | — | — | US | disclosed |
| US-7285545-B2 | N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2007-10-23 | — | — | US | disclosed |