⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12693992 | 0.87 | — | — | |
| SCHEMBL17078019 | 0.86 | TRIM24 (0.32) | — | |
| SCHEMBL14467514 | 0.84 | — | — | |
| SCHEMBL2489173 | 0.84 | — | — | |
| SCHEMBL16761603 | 0.84 | — | — | |
| SCHEMBL1254672 | 0.80 | — | — | |
| SCHEMBL17187564 | 0.80 | — | — | |
| SCHEMBL559869 | 0.80 | — | — | |
| SCHEMBL3938140 | 0.80 | — | — | |
| SCHEMBL16272125 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170196862-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-07-13 | — | — | US | disclosed |
| EP-2422811-A2 | Modulation of antibody specificity by tailoring the affinity to cognate antigens | MedImmune, LLC (US) | 2012-02-29 | — | — | EP | disclosed |