⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8056860 | 0.84 | — | — | |
| SCHEMBL945157 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL3111009 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL8056850 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL8044726 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL2636024 | 0.78 | — | — | |
| SCHEMBL8062590 | 0.78 | — | — | |
| SCHEMBL735240 | 0.78 | — | — | |
| SCHEMBL8062420 | 0.78 | CXCR4 (0.30) | — | |
| SCHEMBL624529 | 0.78 | ALDH1A1 (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-20210284660-A1 | HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE | PTC THERAPEUTICS, INC. | 2021-09-16 | — | — | US | disclosed |
| EP-3814345-A1 | HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE | PTC Therapeutics, Inc. (US) | 2021-05-05 | — | — | EP | disclosed |
| US-6140333-A | FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA | BANYU PHARMACEUTICAL CO LTD (JP) | 2000-10-31 | — | — | US | disclosed |