⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9298002 | 0.79 | — | — | |
| SCHEMBL5010452 | 0.79 | — | — | |
| SCHEMBL4240144 | 0.77 | — | — | |
| SCHEMBL8516248 | 0.76 | HMGCR (0.47) | — | |
| SCHEMBL7811004 | 0.74 | — | — | |
| SCHEMBL6793770 | 0.74 | IDO1 (0.52) | — | |
| SCHEMBL3696016 | 0.74 | PDE4A (0.36) | — | |
| SCHEMBL3703023 | 0.74 | HTR2A (0.32) | — | |
| SCHEMBL9298398 | 0.72 | ALOX5 (0.42) | — | |
| Water SCHEMBL27790537 | 0.72 | CA1 (0.40) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114206882-A | Benzothiophene, thienopyridine, and thienopyrimidine derivatives for modulation of STING | CTXT私人有限公司 | 2022-03-18 | — | — | CN | disclosed |
| US-7491735-B2 | Chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2009-02-17 | — | — | US | disclosed |
| EP-1708703-A4 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2008-04-09 | — | — | EP | disclosed |
| EP-1708703-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-10-11 | — | — | EP | disclosed |
| US-20050277670-A1 | Chemokine receptor binding compounds | ANORMED INC. | 2005-12-15 | — | — | US | disclosed |
| WO-2005059107-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2005-06-30 | — | — | WO | disclosed |
| US-4515618-A | PLANT GROWTH REGULATORS | CHEVRON RESEARCH COMPANY (US) | 1985-05-07 | — | — | US | disclosed |