⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22991788 | 0.75 | — | — | |
| SCHEMBL734255 | 0.73 | — | — | |
| SCHEMBL1265111 | 0.73 | TRPV6 (0.47) | — | |
| SCHEMBL116657 | 0.73 | — | — | |
| SCHEMBL11547591 | 0.73 | TRPV6 (0.47) | — | |
| SCHEMBL7703415 | 0.71 | ORAI1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL4947799 | 0.71 | ORAI1 (0.45) | — | |
| Ammonia Solution, Strong SCHEMBL9783453 | 0.71 | TRPV6 (0.45) | — | |
| SCHEMBL22965023 | 0.69 | ORAI1 (0.38) | — | |
| SCHEMBL28993943 | 0.69 | CA4 (0.43) | — |
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-20210036227-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2021-02-04 | — | — | US | disclosed |