⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1020642 | 0.65 | GABRR1 (0.32) | — | |
| SCHEMBL10583468 | 0.63 | — | — | |
| SCHEMBL2272326 | 0.63 | — | — | |
| SCHEMBL11459068 | 0.63 | — | — | |
| SCHEMBL7049334 | 0.63 | — | — | |
| SCHEMBL1316290 | 0.59 | — | — | |
| SCHEMBL1065656 | 0.58 | — | — | |
| SCHEMBL1314500 | 0.58 | — | — | |
| SCHEMBL9302581 | 0.56 | — | — | |
| SCHEMBL4555770 | 0.55 | — | — |
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-6797819-B1 | Alkaloids | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2004-09-28 | — | — | US | disclosed |
| US-20040014168-A1 | Reagents and methods for library synthesis and screening | HOWARD HUGHES MEDICAL INSTITUTE | 2004-01-22 | — | — | US | disclosed |