⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2008463 | 0.74 | SIGMAR1 (0.30) | — | |
| SCHEMBL12886545 | 0.70 | — | — | |
| SCHEMBL12546320 | 0.63 | PDK2 (0.44) | — | |
| SCHEMBL827163 | 0.62 | — | — | |
| SCHEMBL13809572 | 0.60 | — | — | |
| SCHEMBL7454283 | 0.60 | — | — | |
| SCHEMBL13919765 | 0.60 | — | — | |
| SCHEMBL19356150 | 0.60 | TAAR1 (0.31) | — | |
| SCHEMBL16200811 | 0.60 | POLB (0.41) | — | |
| SCHEMBL17517146 | 0.59 | LMNA (0.31) | — |
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-20110040055-A1 | ELECTROCHROMIC CONJUGATED POLYMERS | NATIONAL CENTRAL UNIVERSITY (TW) | 2011-02-17 | — | — | US | disclosed |