⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2425361 | 1.00 | — | — | |
| SCHEMBL16254162 | 0.90 | TSHR (0.37) | — | |
| SCHEMBL7210409 | 0.79 | — | — | |
| SCHEMBL26151432 | 0.79 | TSHR (0.67) | — | |
| SCHEMBL102859 | 0.78 | — | — | |
| SCHEMBL3212874 | 0.78 | — | — | |
| SCHEMBL2700308 | 0.78 | TSHR (0.64) | — | |
| SCHEMBL3389566 | 0.78 | TSHR (0.64) | — | |
| SCHEMBL8036941 | 0.78 | TSHR (0.64) | — | |
| SCHEMBL28182 | 0.78 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3280715-B1 | NOVEL 5 OR 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES | BEIGENE LTD (KY) | 2020-11-25 | — | — | EP | disclosed |
| EP-2997109-B1 | LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2018-03-21 | — | — | EP | disclosed |
| EP-0056113-B1 | CYCLOHEXYLCARBONITRILE DERIVATIVES, DIELECTRICS AND ELECTRO-OPTIC DISPLAY DEVICE CONTAINING THEM | MERCK PATENT GmbH (DE) | 1985-05-29 | — | — | EP | disclosed |
| US-4419263-A | Liquid crystalline cyclohexylcarbonitrile derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1983-12-06 | — | — | US | disclosed |
| EP-0056113-A1 | Cyclohexylcarbonitrile derivatives, dielectrics and electro-optic display device containing them | MERCK PATENT GmbH (DE) | 1982-07-21 | — | — | EP | disclosed |