⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15497782 | 0.89 | TSHR (0.32) | — | |
| SCHEMBL23494161 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL23493893 | 0.81 | ATM (0.31) | — | |
| SCHEMBL2398734 | 0.79 | EPHX1 (0.32) | — | |
| SCHEMBL13118857 | 0.78 | — | — | |
| SCHEMBL2528815 | 0.78 | — | — | |
| SCHEMBL23525937 | 0.76 | EPHX1 (0.34) | — | |
| SCHEMBL23494109 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL28769093 | 0.76 | — | — | |
| SCHEMBL465385 | 0.75 | EPHX1 (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-10351771-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2019-07-16 | — | — | US | disclosed |