⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14311196 | 0.78 | TSHR (0.34) | — | |
| SCHEMBL2625116 | 0.77 | CNR1 (0.31) | — | |
| SCHEMBL680231 | 0.77 | NPC1 (0.32) | — | |
| SCHEMBL16302753 | 0.75 | PGR (0.30) | — | |
| SCHEMBL12910108 | 0.74 | KDM4E (0.38) | — | |
| SCHEMBL4405161 | 0.73 | — | — | |
| SCHEMBL13648561 | 0.72 | HIF1A (0.42) | — | |
| SCHEMBL14278568 | 0.71 | PDK2 (0.34) | — | |
| SCHEMBL13855235 | 0.69 | — | — | |
| SCHEMBL13708953 | 0.69 | LIPG (0.42) | — |
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-2012013310-A1 | POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS CONTAINING SAID POLYMERS, AND DEVICES CONTAINING SAID POLYMERS OR BLENDS | MERCK PATENT GMBH (DE) | 2012-02-02 | — | — | WO | disclosed |