⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3626364 | 0.76 | — | — | |
| SCHEMBL577582 | 0.76 | — | — | |
| Bromide SCHEMBL27458288 | 0.74 | — | — | |
| SCHEMBL3577014 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL5762233 | 0.73 | CHRM2 (0.44) | — | |
| SCHEMBL737110 | 0.73 | — | — | |
| SCHEMBL9871802 | 0.71 | L3MBTL1 (0.35) | — | |
| SCHEMBL12394788 | 0.71 | CTSA (0.35) | — | |
| SCHEMBL4911969 | 0.71 | L3MBTL1 (0.49) | — | |
| SCHEMBL9370817 | 0.71 | KDM1A (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104703979-B | Heterocyclic compounds and their use | 无限药品股份有限公司 | 2018-11-27 | — | — | CN | disclosed |
| CN-108349893-A | Farnesoid X receptor agonists and application thereof | 梅塔科林公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-104968656-B | autotaxin inhibitors | 诺华股份有限公司 | 2017-08-11 | — | — | CN | disclosed |
| CN-104968656-A | AUTOTAXIN INHIBITORS | NOVARTIS AG | 2015-10-07 | — | — | CN | disclosed |
| CN-104703979-A | Heterocyclic compounds and their use | INFINITY PHARMACEUTICALS INC | 2015-06-10 | — | — | CN | disclosed |
| CN-102171204-B | 8-substituted isoquinoline derivative and application thereof | ASAHI KASEI PHARMA CORP | 2014-08-20 | — | — | CN | disclosed |