⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18679949 | 0.84 | — | — | |
| SCHEMBL17689586 | 0.83 | — | — | |
| SCHEMBL20029383 | 0.82 | — | — | |
| SCHEMBL13467249 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL20206742 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL20968410 | 0.78 | — | — | |
| SCHEMBL24083985 | 0.77 | — | — | |
| SCHEMBL18505818 | 0.77 | — | — | |
| SCHEMBL16348115 | 0.77 | — | — | |
| SCHEMBL20094230 | 0.77 | ALDH1A1 (0.39) | — |
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-20190203047-A1 | Antithrombotic Compounds, Methods and Uses Thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2019-07-04 | — | — | US | disclosed |
| US-10202507-B2 | Antithrombotic compounds, methods and uses thereof | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2019-02-12 | — | — | US | disclosed |
| US-20170233573-A1 | Antithrombotic Compounds, Methods and Uses Thereof | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2017-08-17 | — | — | US | disclosed |