⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15969479 | 1.00 | — | — | |
| SCHEMBL790037 | 1.00 | — | — | |
| SCHEMBL790030 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL15968671 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL790029 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL26092713 | 0.75 | — | — | |
| SCHEMBL26092716 | 0.75 | — | — | |
| SCHEMBL789084 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL789083 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL19856382 | 0.73 | — | — |
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-20140243404-A1 | UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-08-28 | — | — | US | disclosed |
| WO-2012037069-A2 | UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2012-03-22 | — | — | WO | disclosed |