⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8971467 | 0.81 | GABRR1 (0.36) | — | |
| SCHEMBL851189 | 0.81 | GABRR1 (0.36) | — | |
| SCHEMBL11795419 | 0.75 | — | — | |
| SCHEMBL8534 | 0.73 | — | — | |
| SCHEMBL14836714 | 0.70 | CA1 (0.33) | — | |
| SCHEMBL8810644 | 0.70 | — | — | |
| SCHEMBL6556969 | 0.69 | — | — | |
| SCHEMBL6466749 | 0.69 | — | — | |
| SCHEMBL570971 | 0.69 | — | — | |
| SCHEMBL3461474 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2427544-A1 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID | Genomatica, Inc. (US) | 2012-03-14 | — | — | EP | claimed |
| WO-2010129936-A1 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID | GENOMATICA, INC. (US) | 2010-11-11 | — | — | WO | claimed |
| WO-2012177721-A1 | MICROORGANISMS FOR PRODUCING 6-AMINOCAPROIC ACID | GENOMATICA, INC. (US) | 2012-12-27 | — | — | WO | disclosed |
| EP-2427544-A1 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID | Genomatica, Inc. (US) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010129936-A1 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID | GENOMATICA, INC. (US) | 2010-11-11 | — | — | WO | disclosed |