⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12075661 | 0.77 | — | — | |
| SCHEMBL16378173 | 0.74 | MAPT (0.39) | — | |
| SCHEMBL15250406 | 0.74 | MAPT (0.39) | — | |
| SCHEMBL15062104 | 0.71 | CYP1A2 (0.38) | — | |
| SCHEMBL18258057 | 0.71 | — | — | |
| SCHEMBL15128246 | 0.71 | — | — | |
| SCHEMBL10016630 | 0.70 | — | — | |
| SCHEMBL14456586 | 0.70 | — | — | |
| SCHEMBL12841006 | 0.69 | MAPT (0.35) | — | |
| SCHEMBL12019981 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170044438-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-02-16 | — | — | US | disclosed |