⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12832766 | 0.95 | — | — | |
| SCHEMBL16449254 | 0.92 | — | — | |
| SCHEMBL16449276 | 0.90 | — | — | |
| SCHEMBL12833059 | 0.90 | — | — | |
| SCHEMBL12833039 | 0.90 | KCNH3 (0.67) | — | |
| SCHEMBL12832774 | 0.89 | — | — | |
| SCHEMBL16449004 | 0.88 | — | — | |
| SCHEMBL12833040 | 0.88 | — | — | |
| SCHEMBL16361212 | 0.88 | — | — | |
| SCHEMBL14386048 | 0.88 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9603852-B2 | Treatment of obesity and pulmonary arterial hypertension | ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) | 2017-03-28 | — | — | US | disclosed |
| EP-2488032-B1 | PROSTAGLANDIN TRANSPORTER INHIBITORS AND USES THEREOF | EINSTEIN COLL MED (US) | 2016-11-02 | — | — | EP | disclosed |
| US-20160113933-A1 | TREATMENT OF OBESITY AND PULMONARY ARTERIAL HYPERTENSION | ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) | 2016-04-28 | — | — | US | disclosed |
| US-8952150-B2 | Prostaglandin transporter inhibitors and uses thereof | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2015-02-10 | — | — | US | disclosed |