⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9923470 | 1.00 | — | — | |
| SCHEMBL8443446 | 0.77 | — | — | |
| SCHEMBL8443444 | 0.77 | — | — | |
| SCHEMBL15329169 | 0.77 | — | — | |
| SCHEMBL14647201 | 0.76 | — | — | |
| SCHEMBL3818691 | 0.74 | — | — | |
| SCHEMBL3818693 | 0.74 | — | — | |
| SCHEMBL2842548 | 0.74 | — | — | |
| SCHEMBL5956973 | 0.74 | — | — | |
| SCHEMBL2842549 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3397637-B1 | COMPOUND FOR PHOTOACTIVE ORGANIC ELECTRONIC ELEMENT, AND PHOTOACTIVE ORGANIC ELECTRONIC ELEMENT COMPRISING THE COMPOUND | HELIATEK GMBH (DE) | 2021-08-11 | — | — | EP | disclosed |
| US-10392389-B2 | Heterocyclic compounds for the inhibition of PASK | BIOENERGENIX LLC (US) | 2019-08-27 | — | — | US | disclosed |