⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL312203 | 1.00 | — | — | |
| SCHEMBL7764130 | 1.00 | — | — | |
| SCHEMBL19245840 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL18632260 | 0.79 | — | — | |
| SCHEMBL170892 | 0.79 | — | — | |
| Isobutane SCHEMBL28141226 | 0.75 | — | — | |
| SCHEMBL7654 | 0.74 | — | — | |
| SCHEMBL7755370 | 0.74 | TSHR (0.46) | — | |
| SCHEMBL28142522 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL24174282 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160207910-A1 | Fluorinated 2-arylbenzo heterocyclic compound with high affinity to A beta 946; plaques and containing chiral side chain substituent, and preparation method and usage thereof | BEIJING ZHIBO BIO-MEDICAL TECHNOLOGY CO., LTD. (JP) | 2016-07-21 | — | — | US | disclosed |
| EP-2416777-B1 | THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES | SANOFI SA (FR) | 2014-11-12 | — | — | EP | disclosed |