⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13575310 | 0.87 | — | — | |
| SCHEMBL15424530 | 0.78 | GAA (0.31) | — | |
| SCHEMBL11653475 | 0.73 | — | — | |
| SCHEMBL13575311 | 0.69 | — | — | |
| SCHEMBL5086639 | 0.69 | — | — | |
| SCHEMBL9372728 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL10583334 | 0.67 | — | — | |
| SCHEMBL627195 | 0.64 | — | — | |
| SCHEMBL14753671 | 0.62 | — | — | |
| SCHEMBL9958508 | 0.59 | — | — |
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-20140162906-A1 | Pesticide Biomarker | NAGY JON OWEN (US) | 2014-06-12 | — | — | US | disclosed |
| US-8309685-B2 | HCV protease inhibitors and uses thereof | CELGENE AVILOMICS RESEARCH, INC. (US) | 2012-11-13 | — | — | US | disclosed |
| US-20110166043-A1 | BIOMARKER DETECTION-2 | ATERIS TECHNOLOGIES, LLC | 2011-07-07 | — | — | US | disclosed |
| US-20100069294-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2010-03-18 | — | — | US | disclosed |
| US-20100041077-A1 | PESTICIDE BIOMARKER | ATERIS TECHNOLOGIES, LLC | 2010-02-18 | — | — | US | disclosed |
| US-20090306085-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2009-12-10 | — | — | US | disclosed |