⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30016478 | 1.00 | — | — | |
| SCHEMBL4424148 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL5375474 | 0.84 | — | — | |
| SCHEMBL19336005 | 0.74 | — | — | |
| SCHEMBL2918961 | 0.74 | — | — | |
| SCHEMBL2921982 | 0.72 | CYP1A2 (0.32) | — | |
| SCHEMBL11317907 | 0.71 | — | — | |
| Pyridine SCHEMBL28122845 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL23346710 | 0.70 | — | — | |
| SCHEMBL2920630 | 0.70 | CYP1A2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3127987-B1 | ORGANIC LIGHT-EMITTING DEVICE | LG CHEMICAL LTD (KR) | 2018-03-14 | — | — | EP | disclosed |