⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24254829 | 0.90 | — | — | |
| SCHEMBL21005130 | 0.76 | — | — | |
| SCHEMBL22839317 | 0.73 | — | — | |
| SCHEMBL23514124 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL22104126 | 0.71 | — | — | |
| SCHEMBL23921259 | 0.71 | — | — | |
| SCHEMBL21107799 | 0.71 | — | — | |
| SCHEMBL19335996 | 0.71 | — | — | |
| SCHEMBL18535709 | 0.71 | — | — | |
| SCHEMBL21560407 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3564253-A1 | ANTIDEPRESSANT COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2019-11-06 | — | — | EP | disclosed |
| US-20180044284-A1 | NON-IONIC LOW DIFFUSING PHOTO-ACID GENERATORS | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2018-02-15 | — | — | US | disclosed |
| US-9884832-B2 | Inhibitors targeting drug-resistant influenza A | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-02-06 | — | — | US | disclosed |