⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19315723 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL10119694 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL11110220 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL19629953 | 0.64 | — | — | |
| SCHEMBL802733 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL18031190 | 0.63 | ALDH1A1 (0.37) | — | |
| SCHEMBL23872027 | 0.62 | IDO1 (0.44) | — | |
| SCHEMBL24513408 | 0.59 | — | — | |
| SCHEMBL11960695 | 0.58 | MEN1 (0.33) | — | |
| SCHEMBL24184732 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3257916-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2021-11-17 | — | — | EP | disclosed |
| EP-3257916-A1 | LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2017-12-20 | — | — | EP | disclosed |
| EP-3246377-A1 | LIQUID-CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2017-11-22 | — | — | EP | disclosed |