⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9842567 | 0.99 | USP2 (0.31) | — | |
| SCHEMBL9842751 | 0.82 | MMP2 (0.33) | — | |
| SCHEMBL9842735 | 0.82 | MMP2 (0.33) | — | |
| SCHEMBL9842543 | 0.77 | — | — | |
| SCHEMBL9842403 | 0.71 | ELANE (0.33) | — | |
| SCHEMBL9842706 | 0.68 | LTA4H (0.33) | — | |
| SCHEMBL1222086 | 0.63 | EDNRA (0.33) | — | |
| SCHEMBL9842547 | 0.63 | CACNA1D (0.33) | — | |
| SCHEMBL8754609 | 0.62 | HTR2A (0.36) | — | |
| SCHEMBL9741274 | 0.62 | ELANE (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 |
|---|---|---|---|---|---|---|---|
| EP-0413785-A1 | LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. | MERCK PATENT GMBH (DE) | 1991-02-27 | — | — | EP | disclosed |
| WO-1990009420-A1 | LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-23 | — | — | WO | disclosed |