⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31422472 | 1.00 | — | — | |
| SCHEMBL8592581 | 0.97 | CHRM1 (0.33) | — | |
| SCHEMBL16653646 | 0.80 | — | — | |
| SCHEMBL31543618 | 0.78 | — | — | |
| SCHEMBL9636959 | 0.78 | — | — | |
| SCHEMBL12299484 | 0.73 | RNPEP (0.48) | — | |
| Ethylmalonate SCHEMBL107241 | 0.70 | — | — | |
| SCHEMBL15956244 | 0.69 | CA2 (0.45) | — | |
| Ethylmalonate SCHEMBL108554 | 0.67 | HDAC1 (0.43) | — | |
| Ethylmalonate SCHEMBL83437 | 0.67 | HDAC1 (0.43) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105837420-B | The method for preparing methacrylaldehyde from glycerol | 安迪苏法国联合股份有限公司 | 2019-09-13 | — | — | CN | claimed |
| CN-105837420-A | Method for preparing acrolein from glycerol or glycerine | 安迪苏法国联合股份有限公司 | 2016-08-10 | — | — | CN | claimed |
| US-20140080788-A1 | NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2014-03-20 | — | — | US | claimed |
| CN-102245552-A | Method for producing acrolein from glycerol | ADISSEO FRANCE SAS | 2011-11-16 | — | — | CN | claimed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| US-10174432-B2 | Electroplating bath and method for producing dark chromium layers | ATOTECH DEUTSCHLAND GMBH (DE) | 2019-01-08 | — | — | US | disclosed |
| US-10006135-B2 | Electroplating bath and method for producing dark chromium layers | Atotech Deutschland LLP (US) | 2018-06-26 | — | — | US | disclosed |
| US-9850225-B2 | Compounds useful as immunomodulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-12-26 | — | — | US | disclosed |
| US-20170211197-A1 | ELECTROPLATING BATH AND METHOD FOR PRODUCING DARK CHROMIUM LAYERS | ATOTECH DEUTSCHLAND GMBH & CO. KG (F/K/A ATOTECH DEUTSCHLAND GMBH) (DE) | 2017-07-27 | — | — | US | disclosed |
| US-9689081-B2 | Electroplating bath and method for producing dark chromium layers | ATOTECH DEUTSCHLAND GMBH (DE) | 2017-06-27 | — | — | US | disclosed |
| US-20160068983-A1 | ELECTROPLATING BATH AND METHOD FOR PRODUCING DARK CHROMIUM LAYERS | ATOTECH USA, LLC | 2016-03-10 | — | — | US | disclosed |
| US-20150291549-A1 | Compounds Useful as Immunomodulators | BRISTOL-MYERS SQUIBB COMPANY | 2015-10-15 | — | — | US | disclosed |
| US-20140042033-A1 | ELECTROPLATING BATH AND METHOD FOR PRODUCING DARK CHROMIUM LAYERS | ATOTECH DEUTSCHLAND GMBH (DE) | 2014-02-13 | — | — | US | disclosed |
| EP-0576287-A1 | Cosmetic compositions | UNILEVER PLC (GB) | 1993-12-29 | — | — | EP | disclosed |