⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31458295 | 0.63 | — | — | |
| SCHEMBL14363748 | 0.59 | — | — | |
| SCHEMBL18388811 | 0.58 | HDAC1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL31003509 | 0.58 | GAA (0.41) | — | |
| SCHEMBL7534357 | 0.57 | — | — | |
| SCHEMBL12230615 | 0.56 | PNMT (0.43) | — | |
| SCHEMBL14363751 | 0.56 | — | — | |
| SCHEMBL9923686 | 0.56 | — | — | |
| SCHEMBL19100176 | 0.54 | — | — | |
| Pyrrole SCHEMBL28454992 | 0.51 | ALOX15 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10274496-B2 | Biomarkers for detecting and monitoring colon cancer | UNIVERSITY OF WASHINGTON (US) | 2019-04-30 | — | — | US | disclosed |
| US-20160341729-A1 | BIOMARKERS FOR DETECTING AND MONITORING COLON CANCER | UNIVERSITY OF WASHINGTON (US) | 2016-11-24 | — | — | US | disclosed |
| WO-2015109263-A2 | BIOMARKERS FOR DETECTING AND MONITORING COLON CANCER | UNIVERSITY OF WASHINGTON (US) | 2015-07-23 | — | — | WO | disclosed |