⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12354688 | 0.78 | — | — | |
| SCHEMBL33628 | 0.78 | — | — | |
| SCHEMBL12886405 | 0.78 | — | — | |
| SCHEMBL27939104 | 0.73 | — | — | |
| SCHEMBL23140231 | 0.70 | THRB (0.32) | — | |
| SCHEMBL10206066 | 0.69 | — | — | |
| SCHEMBL12073118 | 0.69 | — | — | |
| SCHEMBL23187823 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL24787379 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL26316462 | 0.69 | — | — |
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-20120056129-A1 | POLYMERIZABLE LIQUID CRYSTAL COMPOSITION | DIC CORPORATION (JP) | 2012-03-08 | — | — | US | disclosed |