⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8041740 | 0.63 | — | — | |
| SCHEMBL2916453 | 0.63 | — | — | |
| SCHEMBL8596836 | 0.61 | — | — | |
| SCHEMBL10427529 | 0.60 | — | — | |
| SCHEMBL6207220 | 0.60 | — | — | |
| SCHEMBL10427528 | 0.60 | — | — | |
| SCHEMBL2915901 | 0.59 | GLI1 (0.38) | — | |
| SCHEMBL1888000 | 0.58 | GLI1 (0.37) | — | |
| SCHEMBL2440704 | 0.58 | GLI1 (0.37) | — | |
| SCHEMBL2917598 | 0.57 | GLI1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110072857-A | 1, 3-disubstituted cyclobutanone or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-07-30 | — | — | CN | claimed |
| CN-105745214-B | Tricyclic piperidine compounds | 埃科特莱茵药品有限公司 | 2019-02-19 | — | — | CN | claimed |
| CN-105745214-B | Tricyclic piperidine compounds | 埃科特莱茵药品有限公司 | 2019-02-19 | — | — | CN | disclosed |