⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25005949 | 0.72 | — | — | |
| SCHEMBL685618 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL27598618 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL9175805 | 0.57 | — | — | |
| SCHEMBL28176784 | 0.56 | — | — | |
| SCHEMBL5720340 | 0.54 | — | — | |
| SCHEMBL1114746 | 0.54 | — | — | |
| SCHEMBL12294410 | 0.54 | — | — | |
| SCHEMBL16611747 | 0.54 | — | — | |
| SCHEMBL11150983 | 0.54 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6863841-B2 | Oxadiazole derivative and its use as charge transport and light emitting material | MERCK PATENT GMBH (DE) | 2005-03-08 | — | — | US | disclosed |
| US-20030166943-A1 | Oxadiazole derivative and its use as charge transport and light emitting material | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2003-09-04 | — | — | US | disclosed |