⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15177936 | 0.78 | MAPT (0.36) | — | |
| SCHEMBL8400864 | 0.75 | — | — | |
| SCHEMBL20980282 | 0.72 | MEN1 (0.42) | — | |
| SCHEMBL15177979 | 0.72 | CYP1A2 (0.45) | — | |
| SCHEMBL22872045 | 0.70 | — | — | |
| SCHEMBL8597404 | 0.70 | — | — | |
| SCHEMBL13745201 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL13805714 | 0.67 | — | — | |
| SCHEMBL21375703 | 0.67 | — | — | |
| SCHEMBL22678147 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120252791-A1 | Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain | CHILDREN'S MEDICAL CENTER CORPORATION | 2012-10-04 | — | — | US | disclosed |
| US-7915268-B2 | And 8-substituted 2-(imidazolo[4,5-c]pyridinyl)purines; Janus kinase 3 inhibitors; autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection | WYETH LLC (US) | 2011-03-29 | — | — | US | disclosed |
| US-20100234373-A1 | BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE | AMGEN INC. (US) | 2010-09-16 | — | — | US | disclosed |
| US-7563781-B2 | Triazolopyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2009-07-21 | — | — | US | disclosed |
| US-20080085898-A1 | 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION | PHARMACOPEIA, INC. (US) | 2008-04-10 | — | — | US | disclosed |