⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7456984 | 0.82 | LMNA (0.53) | — | |
| SCHEMBL27918817 | 0.81 | KMT2A (0.52) | — | |
| SCHEMBL7520399 | 0.81 | KMT2A (0.52) | — | |
| SCHEMBL123829 | 0.81 | KMT2A (0.52) | — | |
| SCHEMBL3838466 | 0.80 | THRB (0.46) | — | |
| SCHEMBL29801908 | 0.80 | LMNA (0.58) | — | |
| SCHEMBL442849 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28384994 | 0.79 | KMT2A (0.50) | — | |
| SCHEMBL31282546 | 0.78 | TSHR (0.60) | — | |
| SCHEMBL25447276 | 0.78 | ALDH1A1 (0.41) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10273508-B2 | Microorganisms for the production of 1,4-butanediol and related methods | GENOMATICA, INC. (US) | 2019-04-30 | — | — | US | disclosed |
| US-9677045-B2 | Microorganisms and methods for production of 4-hydroxybutyrate, 1,4-butanediol and related compounds | GENOMATICA, INC. (US) | 2017-06-13 | — | — | US | disclosed |
| US-20160355846-A1 | MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AND RELATED METHODS | AGAIN BIO APS (DK) | 2016-12-08 | — | — | US | disclosed |
| US-20140030779-A1 | MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS | GENOMATICA, INC. (US) | 2014-01-30 | — | — | US | disclosed |
| US-20130189751-A1 | MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL, 4-HYDROXYBUTANAL, 4-HYDROXYBUTYRYL-COA, PUTRESCINE AND RELATED COMPOUNDS, AND METHODS RELATED THERETO | GENOMATICA, INC. (US) | 2013-07-25 | — | — | US | disclosed |
| US-8377666-B2 | Microorganisms for the production of 1,4-butanediol, 4-hydroxybutanal, 4-hydroxybutyryl-coa, putrescine and related compounds, and methods related thereto | GENOMATICA, INC. (US) | 2013-02-19 | — | — | US | disclosed |
| US-20130034884-A1 | MICROORGANISMS FOR PRODUCING 1,4-BUTANEDIOL AND METHODS RELATED THERETO | GENOMATICA, INC. (US) | 2013-02-07 | — | — | US | disclosed |
| US-20130029381-A1 | MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL, 4-HYDROXYBUTANAL, 4-HYDROXYBUTYRYL-COA, PUTRESCINE AND RELATED COMPOUNDS, AND METHODS RELATED THERETO | GENOMATICA, INC. (US) | 2013-01-31 | — | — | US | disclosed |
| US-20110129899-A1 | MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL, 4-HYDROXYBUTANAL, 4-HYDROXYBUTYRYL-COA, PUTRESCINE AND RELATED COMPOUNDS, AND METHODS RELATED THERETO | AGAIN BIO APS (DK) | 2011-06-02 | — | — | US | disclosed |