⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18355984 | 0.92 | CYP1A2 (0.43) | — | |
| SCHEMBL28264729 | 0.79 | — | — | |
| SCHEMBL10047419 | 0.77 | — | — | |
| SCHEMBL21115237 | 0.77 | ACHE (0.50) | — | |
| SCHEMBL8241590 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL21654294 | 0.76 | CYP1A2 (0.46) | — | |
| SCHEMBL21654001 | 0.75 | CYP1A2 (0.43) | — | |
| SCHEMBL18355606 | 0.74 | — | — | |
| SCHEMBL15978560 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL3973171 | 0.72 | G6PC1 (0.51) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9988491-B2 | Methods and compounds for producing nylon 6,6 | EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) | 2018-06-05 | — | — | US | disclosed |
| WO-2017204634-A1 | BIOMASS CONVERSION | NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) | 2017-11-30 | — | — | WO | disclosed |
| US-20160264733-A1 | METHODS AND COMPOUNDS FOR PRODUCING NYLON 6,6 | EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) | 2016-09-15 | — | — | US | disclosed |
| WO-2014176531-A2 | CO-SOLVENT TO PRODUCE REACTIVE INTERMEDIATES FROM BIOMASS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-10-30 | — | — | WO | disclosed |
| WO-2007092569-A1 | ESTERS OF 5 -HYDROXYMETHYLFURFURAL AND METHODS FOR THEIR PREPARATION | BATTELLE MEMORIAL INSTITUTE (US) | 2007-08-16 | — | — | WO | disclosed |