⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14846477 | 0.77 | ADORA3 (0.37) | — | |
| SCHEMBL1826218 | 0.63 | CYP1A2 (0.32) | — | |
| SCHEMBL9850249 | 0.62 | — | — | |
| SCHEMBL8646185 | 0.60 | — | — | |
| SCHEMBL2961120 | 0.58 | — | — | |
| SCHEMBL2963162 | 0.58 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL8013569 | 0.57 | — | — | |
| SCHEMBL2973718 | 0.57 | MAOA (0.31) | — | |
| SCHEMBL8337602 | 0.56 | — | — | |
| SCHEMBL17104859 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9505877-B2 | Phenanthro[9,10-B]furan polymers and small molecules for electronic applications | BASF SE (DE) | 2016-11-29 | — | — | US | disclosed |
| US-9359470-B2 | Dithienobenzofuran polymers and small molecules for electronic application | BASF SE (DE) | 2016-06-07 | — | — | US | disclosed |
| US-9293718-B2 | Diketopyrrolopyrrole polymers and small molecules | BASF SE (DE) | 2016-03-22 | — | — | US | disclosed |
| US-20150132886-A1 | DIKETOPYRROLOPYRROLE POLYMERS AND SMALL MOLECULES | BASF SE (DE) | 2015-05-14 | — | — | US | disclosed |
| US-20150132887-A1 | DITHIENOBENZOFURAN POLYMERS AND SMALL MOLECULES FOR ELECTRONIC APPLICATION | BASF SE (DE) | 2015-05-14 | — | — | US | disclosed |
| US-20150111337-A1 | PHENANTHRO[9,10-B]FURAN POLYMERS AND SMALL MOLECULES FOR ELECTRONIC APPLICATIONS | BASF SE (DE) | 2015-04-23 | — | — | US | disclosed |