⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4646040 | 0.74 | — | — | |
| SCHEMBL16449213 | 0.74 | — | — | |
| SCHEMBL15189344 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL4642290 | 0.72 | — | — | |
| SCHEMBL4643713 | 0.72 | — | — | |
| SCHEMBL9737489 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL19840129 | 0.70 | — | — | |
| SCHEMBL71 | 0.70 | — | — | |
| SCHEMBL167720 | 0.70 | LMNA (0.46) | — | |
| SCHEMBL107888 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112251242-A | Liquid-crystalline medium and liquid-crystal display | 默克专利股份有限公司 | 2021-01-22 | — | — | CN | disclosed |
| CN-111892935-A | Liquid crystal medium, stabilizing method thereof and liquid crystal display | 默克专利股份有限公司 | 2020-11-06 | — | — | CN | disclosed |
| WO-2006107827-A1 | SKIN BONDING PROCESS | CREIGHTON UNIVERSITY (US) | 2006-10-12 | — | — | WO | disclosed |