⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7659758 | 0.78 | — | — | |
| SCHEMBL28462459 | 0.74 | — | — | |
| SCHEMBL7662538 | 0.69 | — | — | |
| SCHEMBL7663904 | 0.67 | CES2 (0.36) | — | |
| SCHEMBL7659962 | 0.66 | — | — | |
| SCHEMBL20434513 | 0.63 | PDE5A (0.35) | — | |
| SCHEMBL34471497 | 0.61 | — | — | |
| SCHEMBL7659827 | 0.61 | — | — | |
| SCHEMBL6205335 | 0.57 | HDAC1 (0.33) | — | |
| SCHEMBL8097509 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6362009-B1 | CAPTURING A SUBSTRATE ON SOLID SUPPORT AND ACTIVATINGSUBSTRATE TO REACT WITH REAGENT WITH WHICH UNACTIVATED SUBSTRATE DOES NOT REACT; REACTING ACTIVATED SUBSTRATE ON SOLID PHASE WITH REAGENT TO GIVE AN ADDITION PRODUCT | MERCK & CO., INC. | 2002-03-26 | — | — | US | disclosed |