⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12401045 | 0.76 | — | — | |
| SCHEMBL13955187 | 0.74 | GABRP (0.42) | — | |
| SCHEMBL14964740 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL23264896 | 0.71 | — | — | |
| SCHEMBL7150069 | 0.70 | — | — | |
| SCHEMBL20646567 | 0.69 | — | — | |
| SCHEMBL2136873 | 0.69 | — | — | |
| SCHEMBL21725627 | 0.69 | GABRP (0.42) | — | |
| SCHEMBL15257872 | 0.69 | — | — | |
| SCHEMBL16980122 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9850251-B2 | Imidazole derivative used as antiviral agent and use therof in preparation of medicament | SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) | 2017-12-26 | — | — | US | disclosed |
| US-20170137420-A1 | PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2017-05-18 | — | — | US | disclosed |
| US-20170129909-A1 | SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE | QUILU PHARMACEUTICAL CO., LTD. (CN) | 2017-05-11 | — | — | US | disclosed |
| US-20170029430-A1 | ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS | HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) | 2017-02-02 | — | — | US | disclosed |