⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5950718 | 0.82 | — | — | |
| SCHEMBL5950720 | 0.82 | — | — | |
| SCHEMBL28147584 | 0.79 | — | — | |
| SCHEMBL22472351 | 0.78 | — | — | |
| SCHEMBL15621025 | 0.77 | — | — | |
| Formaldehyde SCHEMBL5954254 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL28257446 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL3514679 | 0.75 | — | — | |
| SCHEMBL19817118 | 0.75 | GPR84 (0.44) | — | |
| SCHEMBL415751 | 0.73 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114729100-B | Blocked polyisocyanate crosslinking agent, process for producing the same and coating composition comprising the same | 巴斯夫涂料有限公司 | 2024-04-16 | — | — | CN | disclosed |
| US-20220056488-A1 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE | GENOMATICA INC (US) | 2022-02-24 | — | — | US | disclosed |
| US-10793882-B2 | Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene | GENOMATICA, INC. (US) | 2020-10-06 | — | — | US | disclosed |
| WO-2020032184-A1 | CATIONIC LIPID | 武田薬品工業株式会社 | 2020-02-13 | — | — | WO | disclosed |
| WO-2020032185-A1 | METHOD FOR TRANSFECTION INTO CARDIOMYOCYTES USING CATIONIC LIPID | 国立大学法人京都大学 | 2020-02-13 | — | — | WO | disclosed |
| EP-3312284-A2 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE | Genomatica, Inc. (US) | 2018-04-25 | — | — | EP | disclosed |
| US-20170335352-A1 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE | AGAIN BIO APS (DK) | 2017-11-23 | — | — | US | disclosed |
| EP-2607340-B1 | Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene | GENOMATICA INC (US) | 2017-09-06 | — | — | EP | disclosed |
| US-8715957-B2 | Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene | GENOMATICA, INC. (US) | 2014-05-06 | — | — | US | disclosed |
| EP-2607340-A1 | Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene | Genomatica, Inc. (US) | 2013-06-26 | — | — | EP | disclosed |
| US-8334408-B2 | Analogs of alpha galactosylceramide and uses thereof | LUDWIG INSTITUTE FOR CANCER RESEARCH (US) | 2012-12-18 | — | — | US | disclosed |
| US-20120269857-A1 | ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF | LUDWIG INSTITUTE FOR CANCER RESEARCH | 2012-10-25 | — | — | US | disclosed |
| WO-2012129353-A1 | BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-09-27 | — | — | WO | disclosed |
| US-8188313-B2 | Analogs of alpha galactosylceramide and uses thereof | THE UNIVERSITY OF BIRMINGHAM (GB) | 2012-05-29 | — | — | US | disclosed |
| US-20120034269-A1 | ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF | CERUNDOLO VINCENZO (GB) | 2012-02-09 | — | — | US | disclosed |
| WO-2012018624-A2 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE | GENOMATICA, INC. (US) | 2012-02-09 | — | — | WO | disclosed |
| US-20120021478-A1 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE | AGAIN BIO APS (DK) | 2012-01-26 | — | — | US | disclosed |
| EP-0832898-A2 | Substituted amino acid derivatives | BAYER AG (DE) | 1998-04-01 | — | — | EP | disclosed |