⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13845478 | 1.00 | — | — | |
| SCHEMBL23518933 | 0.82 | POLB (0.34) | — | |
| SCHEMBL5061905 | 0.80 | — | — | |
| SCHEMBL5061904 | 0.80 | — | — | |
| SCHEMBL24721694 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL14499069 | 0.75 | — | — | |
| SCHEMBL23584859 | 0.72 | — | — | |
| SCHEMBL13758782 | 0.72 | — | — | |
| SCHEMBL9170906 | 0.72 | — | — | |
| SCHEMBL12085045 | 0.72 | — | — |
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-1313870-B1 | METHOD FOR THE IMPROVED PRODUCTION AND ISOLATION OF TRANS-DIHYDROXYCYCLOHEXADIENE CARBOXYLIC ACIDS AND/OR DERIVATIVES THEREOF AND A GENETICALLY MODIFIED ORGANISM SUITABLE FOR THE ABOVE | FORSCHUNGSZENTRUM JUELICH GMBH (DE) | 2005-09-21 | — | — | EP | claimed |
| US-20030224495-A1 | Method for the improved production and isolation of trans-dihydroxycyclohexadiene carboxylic acids and/or derivatives thereof and genetically modified organism suitable therefor | DSM BIOTECH GMBH (DE) | 2003-12-04 | — | — | US | claimed |
| US-20080311631-A1 | Biosynthetic Production of 4-Amino 4-Deoxychorismate (Adc) and [3R,4R]-4-Amino-3-Hydroxycyclohexa-1,5-Diene-1-Carboxylic Acid (3,4-Cha) | DSM IP ASSETS B. V. (NL) | 2008-12-18 | — | — | US | disclosed |
| US-20080311631-A1 | Biosynthetic Production of 4-Amino 4-Deoxychorismate (Adc) and [3R,4R]-4-Amino-3-Hydroxycyclohexa-1,5-Diene-1-Carboxylic Acid (3,4-Cha) | DSM IP ASSETS B. V. (NL) | 2008-12-18 | — | — | US | disclosed |
| US-20030224495-A1 | Method for the improved production and isolation of trans-dihydroxycyclohexadiene carboxylic acids and/or derivatives thereof and genetically modified organism suitable therefor | DSM BIOTECH GMBH (DE) | 2003-12-04 | — | — | US | disclosed |