⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23865783 | 1.00 | — | — | |
| SCHEMBL13891350 | 1.00 | — | — | |
| SCHEMBL19221146 | 0.93 | ALDH1A1 (0.47) | — | |
| SCHEMBL17643258 | 0.93 | ALDH1A1 (0.47) | — | |
| SCHEMBL24488106 | 0.91 | ALDH1A1 (0.32) | — | |
| SCHEMBL12838254 | 0.85 | — | — | |
| SCHEMBL20346429 | 0.84 | ALDH1A1 (0.39) | — | |
| SCHEMBL14642970 | 0.82 | ALDH1A1 (0.44) | — | |
| SCHEMBL16258863 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL19248282 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3337398-B1 | IN VITRO METHOD AND USE OF A DEVICE FOR THE IN VITRO DIAGNOSIS OF AIRWAY DISEASE INFLAMMATORY SUBTYPE | GESVAL S A (BE) | 2021-09-29 | — | — | EP | disclosed |
| US-20190161804-A1 | DETECTING PANCREATIC HIGH-GRADE DYSPLASIA | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH | 2019-05-30 | — | — | US | disclosed |