⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11133419 | 0.82 | ACE (0.45) | — | |
| SCHEMBL216163 | 0.79 | — | — | |
| SCHEMBL483277 | 0.78 | — | — | |
| SCHEMBL16289187 | 0.76 | — | — | |
| SCHEMBL18704868 | 0.75 | ACE (0.62) | — | |
| SCHEMBL4202343 | 0.74 | ACE (0.38) | — | |
| SCHEMBL18406292 | 0.74 | — | — | |
| SCHEMBL562731 | 0.73 | — | — | |
| SCHEMBL4305395 | 0.73 | — | — | |
| SCHEMBL17228576 | 0.73 | GPR84 (0.41) | — |
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-20030165849-A1 | Methods and reagents for introducing a sulfhydryl group into the 5'-terminus of RNA | UNIVERSITY OF MASSACHUSETTS, WORCESTER CENTRAL | 2003-09-04 | — | — | US | disclosed |
| WO-2002044196-A1 | METHODS AND REAGENTS FOR INTRODUCING A SULFHYDRYL GROUP INTO THE 5'-TERMINUS OF RNA | UNIVERSITY OF MASSACHUSETTS (US) | 2002-06-06 | — | — | WO | disclosed |