⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12116519 | 0.93 | HDAC8 (0.56) | — | |
| SCHEMBL12065915 | 0.90 | — | — | |
| SCHEMBL12528166 | 0.79 | TLR2 (0.36) | — | |
| SCHEMBL2727964 | 0.79 | POLB (0.50) | — | |
| SCHEMBL104253 | 0.79 | — | — | |
| SCHEMBL28376355 | 0.79 | HDAC8 (0.64) | — | |
| SCHEMBL27802596 | 0.78 | HTT (0.36) | — | |
| SCHEMBL14010048 | 0.78 | MKNK1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL4622021 | 0.77 | — | — | |
| SCHEMBL13045996 | 0.76 | BCHE (0.43) | — |
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-20160151335-A1 | METHODS OF MODULATING CFTR ACTIVITY | PROTEOSTASIS THERAPEUTICS, INC. (US) | 2016-06-02 | — | — | US | disclosed |
| WO-2014210159-A1 | METHODS OF MODULATING CFTR ACTIVITY | PROTEOSTASIS THERAPEUTICS, INC. (US) | 2014-12-31 | — | — | WO | disclosed |
| US-20110230350-A1 | ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2011-09-22 | — | — | US | disclosed |