⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9662724 | 0.80 | — | — | |
| SCHEMBL5347884 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL28231867 | 0.76 | MAPK1 (0.32) | — | |
| SCHEMBL6106227 | 0.74 | NPSR1 (0.31) | — | |
| SCHEMBL25263047 | 0.73 | — | — | |
| SCHEMBL8077526 | 0.73 | MEN1 (0.32) | — | |
| SCHEMBL3770316 | 0.73 | MEN1 (0.32) | — | |
| SCHEMBL11118507 | 0.70 | ALDH1A1 (0.45) | — | |
| Acetic Acid Methyl Ester SCHEMBL27816487 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL8344242 | 0.69 | LMNA (0.37) | — |
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-6787589-B2 | PACKAGING MATERIALS FOR ULTRAVIOLET AND VISIBLE LIGHT SENSITIVE FOODS AND BEVERAGES | EASTMAN CHEMICAL COMPANY | 2004-09-07 | — | — | US | claimed |
| US-5837705-A | AN ANTAGONIST OF EXCITATORY AMINO ACID AND GLYCINE RECEPTOR FOR TREATING NEURODEGENERATIVE DISORDER, STROKE, HYPOGLYCEMIA, ISCHEMIC ATTACK, ANOXIA OR EPILEPSY | ZENECA LIMITED (GB) | 1998-11-17 | — | — | US | disclosed |
| US-4562176-A | ANALOGS OF ACTINOMYCIN D | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 1985-12-31 | — | — | US | disclosed |