⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14788233 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL12563323 | 0.69 | NTRK1 (0.34) | — | |
| SCHEMBL14791499 | 0.69 | — | — | |
| SCHEMBL20631048 | 0.69 | PTGDR2 (0.37) | — | |
| SCHEMBL20673891 | 0.68 | IMPDH2 (0.30) | — | |
| SCHEMBL20673876 | 0.68 | PTGDR2 (0.30) | — | |
| SCHEMBL20673878 | 0.67 | BRD4 (0.49) | — | |
| SCHEMBL11580726 | 0.63 | KMT2A (0.42) | — | |
| SCHEMBL14502453 | 0.63 | HTR6 (0.56) | — | |
| SCHEMBL18999663 | 0.63 | GABRA1 (0.40) | — |
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 |