⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14398389 | 0.79 | — | — | |
| SCHEMBL272174 | 0.77 | — | — | |
| SCHEMBL10470617 | 0.76 | — | — | |
| SCHEMBL2175844 | 0.76 | KDM5B (0.47) | — | |
| SCHEMBL18722155 | 0.73 | EPHX1 (0.31) | — | |
| SCHEMBL7871513 | 0.72 | — | — | |
| SCHEMBL14648601 | 0.72 | — | — | |
| SCHEMBL3826024 | 0.72 | — | — | |
| SCHEMBL14397873 | 0.70 | LDHA (0.40) | — | |
| SCHEMBL868382 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012012627-A1 | METHOD OF PREVENTING OR TREATING VIRAL INFECTION | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2012-01-26 | — | — | WO | disclosed |
| WO-2007117180-A1 | AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF | 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) | 2007-10-18 | — | — | WO | disclosed |