⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26680082 | 0.77 | — | — | |
| SCHEMBL11219901 | 0.74 | — | — | |
| SCHEMBL821700 | 0.70 | TSHR (0.38) | — | |
| SCHEMBL14301050 | 0.70 | — | — | |
| SCHEMBL5838433 | 0.69 | — | — | |
| SCHEMBL7411088 | 0.69 | — | — | |
| SCHEMBL11144350 | 0.69 | KDM5B (0.30) | — | |
| SCHEMBL218006 | 0.67 | — | — | |
| SCHEMBL10840448 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL5159463 | 0.65 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030229145-A1 | Pain treatment methods and compositions | GRUENENTHAL GMBH (DE) | 2003-12-11 | — | — | US | claimed |
| US-4033264-A | Explosive cartridge | ICI AUSTRALIA LIMITED (AU) | 1977-07-05 | — | — | US | claimed |
| CN-115974723-A | Carboxamide ethylene anthracenes compound, pharmaceutical composition containing same and application thereof | 中国药科大学 | 2023-04-18 | — | — | CN | disclosed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| US-20030229145-A1 | Pain treatment methods and compositions | GRUENENTHAL GMBH (DE) | 2003-12-11 | — | — | US | disclosed |
| US-4077820-A | Gelled-water bearing explosive composition | ICI AUSTRALIA LIMITED (AU) | 1978-03-07 | — | — | US | disclosed |
| US-4033264-A | Explosive cartridge | ICI AUSTRALIA LIMITED (AU) | 1977-07-05 | — | — | US | disclosed |