⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24355565 | 0.81 | — | — | |
| SCHEMBL19834744 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL19019750 | 0.77 | — | — | |
| SCHEMBL8305433 | 0.77 | — | — | |
| SCHEMBL23690053 | 0.76 | — | — | |
| SCHEMBL4559131 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL26368 | 0.75 | — | — | |
| SCHEMBL9514804 | 0.75 | — | — | |
| SCHEMBL24355460 | 0.74 | — | — | |
| SCHEMBL19019687 | 0.72 | FDPS (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018021970-A1 | CONJUGATED POLYVIOLOGEN DERIVATIVES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2018-02-01 | — | — | WO | disclosed |
| US-20170174826-A1 | DONOR-ACCEPTOR POLYMERS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2017-06-22 | — | — | US | disclosed |