⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4435637 | 0.78 | HSD11B1 (0.32) | — | |
| SCHEMBL28257454 | 0.77 | CHRM3 (0.32) | — | |
| SCHEMBL15355468 | 0.76 | — | — | |
| SCHEMBL2721518 | 0.76 | MLYCD (0.33) | — | |
| SCHEMBL938120 | 0.75 | — | — | |
| SCHEMBL5559590 | 0.74 | CYP2D6 (0.30) | — | |
| SCHEMBL980149 | 0.74 | MLYCD (0.32) | — | |
| SCHEMBL6209477 | 0.71 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL3333522 | 0.71 | CNR2 (0.30) | — | |
| SCHEMBL2912964 | 0.70 | KCNQ3 (0.32) | — |
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-20110152243-A1 | NOVEL THIENOPYRROLE COMPOUNDS | ABBOTT LABORATORIES (US) | 2011-06-23 | — | — | US | disclosed |