⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18599190 | 0.80 | — | — | |
| SCHEMBL809925 | 0.80 | — | — | |
| Bicarbonate SCHEMBL5682507 | 0.70 | — | — | |
| Bicarbonate SCHEMBL1563325 | 0.70 | — | — | |
| SCHEMBL27493911 | 0.70 | — | — | |
| SCHEMBL466305 | 0.66 | — | — | |
| Carbamic Acid SCHEMBL1682079 | 0.66 | — | — | |
| Acetic Acid SCHEMBL9630666 | 0.66 | FFAR3 (0.35) | — | |
| SCHEMBL10348977 | 0.66 | — | — | |
| SCHEMBL4107307 | 0.66 | GAA (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5863930-A | ATHEROSCLEROSIS TREATMENT FORMED BY REACTION OF PYRIDONES WITH BIPHENYLMETHYL HALOGEN | BAYER AKTIENGESELLSCHAFT (DE) | 1999-01-26 | — | — | US | disclosed |
| CN-1040435-C | Trisubstituted biphenyls | BAYER AG (DE) | 1998-10-28 | — | — | CN | disclosed |
| US-5596006-A | ANTIHYPERTENSIVE, ANTIATHEROSCLEROTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-01-21 | — | — | US | disclosed |
| CN-1089260-A | Trisubstituted biphenyls | BAYER AG (DE) | 1994-07-13 | — | — | CN | disclosed |