⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20826267 | 1.00 | — | — | |
| SCHEMBL24893724 | 0.95 | NPC1 (0.30) | — | |
| SCHEMBL10100925 | 0.95 | MAPT (0.32) | — | |
| SCHEMBL23873056 | 0.93 | — | — | |
| SCHEMBL21919431 | 0.90 | — | — | |
| SCHEMBL24238040 | 0.90 | — | — | |
| SCHEMBL24846215 | 0.89 | — | — | |
| SCHEMBL20826472 | 0.88 | — | — | |
| SCHEMBL21666871 | 0.88 | — | — | |
| SCHEMBL15423727 | 0.88 | CASP3 (0.32) | — |
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-20200044159-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2020-02-06 | — | — | US | disclosed |