⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31339102 | 0.79 | — | — | |
| SCHEMBL18827412 | 0.78 | TP53 (0.30) | — | |
| SCHEMBL23819606 | 0.74 | — | — | |
| SCHEMBL4954500 | 0.73 | — | — | |
| SCHEMBL29727417 | 0.72 | TP53 (0.36) | — | |
| SCHEMBL29372030 | 0.72 | TP53 (0.36) | — | |
| SCHEMBL22983273 | 0.72 | TP53 (0.36) | — | |
| SCHEMBL29634099 | 0.72 | TP53 (0.36) | — | |
| SCHEMBL20237364 | 0.71 | TP53 (0.32) | — | |
| SCHEMBL918816 | 0.69 | TP53 (0.44) | — |
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-20120195951-A1 | Therapeutic Inhibitor of Vascular Smooth Muscle Cells | KUNZ LAWRENCE L (US) | 2012-08-02 | — | — | US | disclosed |
| US-8097642-B2 | Therapeutic inhibitor of vascular smooth muscle cells | BOSTON SCIENTIFIC SCIMED, INC. | 2012-01-17 | — | — | US | disclosed |