⚠ 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL2585876 | 1.00 | FFAR3 (0.83) | — | |
| Propionic Acid SCHEMBL28008056 | 1.00 | — | — | |
| Propionic Acid SCHEMBL29094849 | 1.00 | FFAR3 (0.83) | — | |
| Cyclopentane SCHEMBL97373 | 1.00 | FFAR3 (0.83) | — | |
| Propionic Acid SCHEMBL5062880 | 1.00 | FFAR3 (0.83) | — | |
| Cyclooctane SCHEMBL27748002 | 1.00 | FFAR3 (0.83) | — | |
| Cyclohexane SCHEMBL4093030 | 1.00 | FFAR3 (0.83) | — | |
| Cyclopentane SCHEMBL28987168 | 1.00 | FFAR3 (0.83) | — | |
| Propionic Acid SCHEMBL29144978 | 0.96 | FFAR3 (0.77) | — | |
| Cyclohexane SCHEMBL11710549 | 0.96 | FFAR3 (0.77) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104955459-B | Substituted indoles -5- amphyl and its treatment use | 南特知识产权控股有限责任公司 | 2019-02-01 | — | — | CN | disclosed |
| CN-105101959-B | Cyclic sulfonamide-containing derivatives as hedgehog signaling pathway inhibitors | 南特知识产权控股有限责任公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-105101959-A | Cyclic sulfonamide-containing derivatives as hedgehog signaling pathway inhibitors | NANT HOLDINGS IP LLC | 2015-11-25 | — | — | CN | disclosed |
| CN-104955459-A | Substituted indol-5-ol derivatives and their therapeutical applications | NANT HOLDINGS IP LLC | 2015-09-30 | — | — | CN | disclosed |
| CN-1889956-A | Methods and reagents for the treatment of immunoinflammatory disorders | COMBINATORX INC (US) | 2007-01-03 | — | — | CN | disclosed |
| CN-1046525-C | Compounds containing a fused bicyclic ring and processes therefor | BRISTOL MYERS SQUIBB CO (US) | 1999-11-17 | — | — | CN | disclosed |
| CN-1099392-A | Compounds containing a fused bicyclic ring and processes therefor | BRISTOL MYERS SQIBB COMPANY (US) | 1995-03-01 | — | — | CN | disclosed |