⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6299345 | 1.00 | — | — | |
| SCHEMBL1952132 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28253999 | 0.98 | CXCR4 (0.38) | — | |
| SCHEMBL28822840 | 0.96 | CXCR4 (0.40) | — | |
| SCHEMBL2456153 | 0.86 | CXCR4 (0.47) | — | |
| SCHEMBL6298213 | 0.86 | CXCR4 (0.44) | — | |
| SCHEMBL3021251 | 0.86 | CXCR4 (0.44) | — | |
| SCHEMBL2417776 | 0.86 | CXCR4 (0.44) | — | |
| SCHEMBL21010237 | 0.85 | CXCR4 (0.42) | — | |
| SCHEMBL1638947 | 0.85 | CXCR4 (0.42) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11827920-B2 | Nanostructure, a biosensor including the nanostructure, and a screening method | POSTECH Research and Business Development Foundation (KR) | 2023-11-28 | — | — | US | disclosed |
| WO-2012171337-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2012-12-20 | — | — | WO | disclosed |
| US-8097610-B2 | Derivative having PPAR agonistic activity | SHIONOGI & CO., LTD. (JP) | 2012-01-17 | — | — | US | disclosed |
| US-20090286974-A1 | Derivative having ppar agonistic activity | SHIONOGI & CO., LTD. (JP) | 2009-11-19 | — | — | US | disclosed |
| WO-2008134035-A1 | ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES | PANACOS PHARMACEUTICALS, INC. (US) | 2008-11-06 | — | — | WO | disclosed |
| US-20040122001-A1 | Pharmaceutical compounds | ELI LILLY AND COMPANY | 2004-06-24 | — | — | US | disclosed |