⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL67227 | 0.73 | — | — | |
| SCHEMBL1178074 | 0.73 | — | — | |
| SCHEMBL5424388 | 0.69 | — | — | |
| SCHEMBL2718673 | 0.69 | — | — | |
| SCHEMBL4743217 | 0.69 | — | — | |
| SCHEMBL1036639 | 0.69 | — | — | |
| SCHEMBL4402700 | 0.69 | — | — | |
| SCHEMBL11839327 | 0.69 | — | — | |
| SCHEMBL16735764 | 0.69 | — | — | |
| SCHEMBL3588077 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5496499-A | Biphenylethanes and liquid-crystalline phase | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-03-05 | — | — | US | disclosed |
| CN-1105799-A | Carbostyril derivatives as matrix metalloproteinases inhibitors | OTSUKA PHARMA CO LTD (JP) | 1995-07-26 | — | — | CN | disclosed |
| EP-0480217-A2 | Mesogenic compounds | MERCK PATENT GmbH (DE) | 1992-04-15 | — | — | EP | disclosed |