⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8036641 | 1.00 | — | — | |
| SCHEMBL8036643 | 1.00 | — | — | |
| SCHEMBL9250100 | 0.91 | USP5 (0.33) | — | |
| SCHEMBL9250103 | 0.91 | USP5 (0.33) | — | |
| SCHEMBL8034786 | 0.91 | — | — | |
| SCHEMBL8034778 | 0.91 | — | — | |
| SCHEMBL8034782 | 0.91 | — | — | |
| SCHEMBL8036593 | 0.90 | USP5 (0.32) | — | |
| SCHEMBL8034768 | 0.86 | DRD2 (0.35) | — | |
| SCHEMBL8034774 | 0.86 | DRD2 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0497176-B1 | Four rings compounds and liquid crystal mixtures containing them | MERCK PATENT GMBH (DE) | 2000-04-05 | — | — | EP | disclosed |
| US-5478497-A | For electro-optical purposes | HOFFMANN-LA ROCHE INC. (US) | 1995-12-26 | — | — | US | disclosed |
| EP-0497176-A2 | Four rings compounds and liquid crystal mixtures containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1992-08-05 | — | — | EP | disclosed |