⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1467334 | 0.70 | — | — | |
| SCHEMBL31295825 | 0.67 | — | — | |
| SCHEMBL713635 | 0.57 | — | — | |
| SCHEMBL6268283 | 0.57 | — | — | |
| SCHEMBL13101762 | 0.57 | — | — | |
| SCHEMBL3140419 | 0.57 | — | — | |
| SCHEMBL476446 | 0.57 | — | — | |
| SCHEMBL3546083 | 0.57 | — | — | |
| SCHEMBL14890033 | 0.57 | — | — | |
| SCHEMBL3104541 | 0.57 | — | — |
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-9328061-B2 | Simple organic molecules as catalysts for practical and efficient enantioselective synthesis of amines and alcohols | TRUSTEES OF BOSTON COLLEGE (US) | 2016-05-03 | — | — | US | disclosed |
| US-20150057451-A1 | SIMPLE ORGANIC MOLECULES AS CATALYSTS FOR PRACTICAL AND EFFICIENT ENANTIOSELECTIVE SYNTHESIS OF AMINES AND ALCOHOLS | NATIONAL INSTITUTES OF HEALTH, U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES, U.S. GOVERNMENT | 2015-02-26 | — | — | US | disclosed |