⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13820156 | 0.71 | NOS1 (0.39) | — | |
| SCHEMBL18950089 | 0.55 | — | — | |
| SCHEMBL16284931 | 0.55 | CDC7 (0.36) | — | |
| SCHEMBL8479890 | 0.50 | — | — | |
| SCHEMBL19194956 | 0.49 | — | — | |
| SCHEMBL77218 | 0.47 | — | — | |
| SCHEMBL16284924 | 0.47 | KDM4E (0.39) | — | |
| SCHEMBL4100396 | 0.46 | — | — | |
| SCHEMBL10078871 | 0.45 | — | — | |
| SCHEMBL2517676 | 0.45 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013028441-A2 | NEW POLY(HETEROARYLENE VINYLENE)S BASED ON DIKETOPYRROLOPYRROLE | UNIVERSITY OF WASHINGTON (US) | 2013-02-28 | — | — | WO | disclosed |