⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1784025 | 0.84 | — | — | |
| SCHEMBL13485257 | 0.84 | — | — | |
| SCHEMBL24002525 | 0.84 | — | — | |
| SCHEMBL9244981 | 0.79 | — | — | |
| SCHEMBL14765088 | 0.78 | — | — | |
| SCHEMBL24593091 | 0.78 | — | — | |
| SCHEMBL18499412 | 0.76 | — | — | |
| SCHEMBL261785 | 0.76 | — | — | |
| SCHEMBL15216073 | 0.75 | — | — | |
| SCHEMBL24002528 | 0.73 | ADH1B (0.39) | — |
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-20110288263-A1 | BIOBASED POLYESTERS | DRATHS CORPORATION (US) | 2011-11-24 | — | — | US | disclosed |
| US-20110288311-A1 | NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF | DRATHS CORPORATION (US) | 2011-11-24 | — | — | US | disclosed |
| US-20110288310-A1 | CYCLOHEXANE 1,4 CARBOXYLATES | DRATHS CORPORATION (US) | 2011-11-24 | — | — | US | disclosed |
| US-20110282078-A1 | CYCLOHEXENE 1,4 -CARBOXYLATES | DRATHS CORPORATION (US) | 2011-11-17 | — | — | US | disclosed |
| US-20100314243-A1 | PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES | DRATHS CORPORATION (US) | 2010-12-16 | — | — | US | disclosed |