⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17355035 | 0.99 | — | — | |
| SCHEMBL17355026 | 0.98 | GBA1 (0.30) | — | |
| SCHEMBL17355037 | 0.98 | GBA1 (0.30) | — | |
| SCHEMBL18503087 | 0.98 | GBA1 (0.30) | — | |
| SCHEMBL17355007 | 0.96 | — | — | |
| SCHEMBL17355013 | 0.95 | GBA1 (0.30) | — | |
| SCHEMBL18503086 | 0.95 | — | — | |
| SCHEMBL17355025 | 0.95 | CYP1A2 (0.31) | — | |
| SCHEMBL17355014 | 0.94 | — | — | |
| SCHEMBL17354979 | 0.94 | CYP1A2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180030350-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2018-02-01 | — | — | US | disclosed |
| US-20170044438-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-02-16 | — | — | US | disclosed |