⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL823069 | 1.00 | — | — | |
| SCHEMBL717666 | 1.00 | — | — | |
| SCHEMBL12918419 | 1.00 | — | — | |
| SCHEMBL4105220 | 1.00 | ALDH1A1 (0.61) | — | |
| SCHEMBL17363029 | 1.00 | ALDH1A1 (0.61) | — | |
| SCHEMBL4105222 | 1.00 | ALDH1A1 (0.61) | — | |
| SCHEMBL322830 | 0.94 | — | — | |
| SCHEMBL322831 | 0.94 | — | — | |
| SCHEMBL27368989 | 0.94 | — | — | |
| SCHEMBL831105 | 0.94 | — | — |
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-9073867-B2 | Process for preparing caprolactam and polyamides therefrom | Amyris, Inc. (US) | 2015-07-07 | — | — | US | disclosed |
| US-20130085255-A1 | Process for Preparing Caprolactam and Polyamides Therefrom | Amyris, Inc. (US) | 2013-04-04 | — | — | 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 |