⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7777505 | 1.00 | — | — | |
| SCHEMBL281717 | 1.00 | — | — | |
| SCHEMBL11186250 | 0.96 | — | — | |
| SCHEMBL6909450 | 0.87 | — | — | |
| SCHEMBL261953 | 0.86 | — | — | |
| SCHEMBL7022586 | 0.86 | — | — | |
| SCHEMBL8466827 | 0.85 | CYP1A2 (0.39) | — | |
| SCHEMBL9471037 | 0.85 | CYP1A2 (0.39) | — | |
| SCHEMBL4079110 | 0.85 | — | — | |
| SCHEMBL4079113 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1127048-A1 | BISPHENYL THIOCOMPOUNDS | NEMATEL Dr. Rudolf Eidenschink (DE) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000026184-A1 | BISPHENYL THIOCOMPOUNDS | NEMATEL DR. RUDOLF EIDENSCHINK (DE) | 2000-05-11 | — | — | WO | disclosed |