⚠ 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 | |
|---|---|---|---|---|
| Alpha-Phellandrene SCHEMBL22497679 | 0.83 | USP2 (0.32) | — | |
| Alpha-Phellandrene SCHEMBL159519 | 0.83 | USP2 (0.32) | — | |
| Alpha-Phellandrene SCHEMBL159518 | 0.83 | USP2 (0.32) | — | |
| Alpha-Phellandrene SCHEMBL19816252 | 0.81 | USP2 (0.31) | — | |
| SCHEMBL5958607 | 0.79 | — | — | |
| SCHEMBL21611272 | 0.79 | — | — | |
| SCHEMBL12532370 | 0.79 | — | — | |
| Alpha-Phellandrene SCHEMBL8855951 | 0.79 | — | — | |
| SCHEMBL30307777 | 0.79 | — | — | |
| SCHEMBL13369839 | 0.78 | — | — |
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-8188055-B2 | Inactivators of O6-alkylguanine-DNA alkyltransferase | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2012-05-29 | — | — | US | disclosed |
| US-20100204172-A1 | INACTIVATORS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE | DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2010-08-12 | — | — | US | disclosed |