⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10672399 | 1.00 | — | — | |
| SCHEMBL15053021 | 0.83 | — | — | |
| SCHEMBL17334532 | 0.83 | — | — | |
| SCHEMBL8468504 | 0.81 | — | — | |
| SCHEMBL19923331 | 0.79 | HMGCR (0.35) | — | |
| SCHEMBL570226 | 0.71 | — | — | |
| SCHEMBL1064241 | 0.71 | — | — | |
| SCHEMBL233666 | 0.71 | — | — | |
| SCHEMBL1064242 | 0.71 | — | — | |
| SCHEMBL233667 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10317414-B2 | Predicting coronary artery disease and risk of cardiovascular events | DUKE UNIVERSITY (US) | 2019-06-11 | — | — | US | disclosed |
| US-20160195543-A1 | PREDICTING CORONARY ARTERY DISEASE AND RISK OF CARDIOVASCULAR EVENTS | DUKE UNIVERSITY | 2016-07-07 | — | — | US | disclosed |
| US-20120021472-A1 | Method for the Production of Glutaconate | BASF SE (DE) | 2012-01-26 | — | — | US | disclosed |
| US-4785010-A | AGING RESISTANCE OF HUMANS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1988-11-15 | — | — | US | disclosed |
| EP-0124067-B1 | 2-(AMINOALKYL)-PYRROLE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE | CASSELLA Aktiengesellschaft (DE) | 1986-12-17 | — | — | EP | disclosed |
| EP-0124067-A1 | 2-(Aminoalkyl)-pyrrole derivatives, process for their manufacture and their use | CASSELLA Aktiengesellschaft (DE) | 1984-11-07 | — | — | EP | disclosed |