⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15080408 | 1.00 | — | — | |
| SCHEMBL1781885 | 1.00 | — | — | |
| Acetic Acid SCHEMBL30957047 | 0.80 | ALDH1A1 (0.50) | — | |
| SCHEMBL586254 | 0.79 | — | — | |
| SCHEMBL6722275 | 0.79 | — | — | |
| SCHEMBL6722277 | 0.79 | — | — | |
| SCHEMBL1130559 | 0.79 | — | — | |
| SCHEMBL12973054 | 0.79 | — | — | |
| SCHEMBL21633698 | 0.77 | — | — | |
| SCHEMBL21674222 | 0.77 | — | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111871429-B | Raney catalyst and preparation method thereof, and method for preparing gamma-ketene from alpha, gamma-dienone | 万华化学集团股份有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-111871429-A | Raney catalyst and preparation method thereof, and method for preparing gamma-ketene from alpha, gamma-dienone | 万华化学集团股份有限公司 | 2020-11-03 | — | — | CN | disclosed |
| US-20140315790-A1 | AMINOTHIAZOLES AND THEIR USES | BUSHELL SIMON (US) | 2014-10-23 | — | — | US | disclosed |
| US-8632792-B2 | Cooling sensation agent composition and sensory stimulation agent composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-01-21 | — | — | US | disclosed |
| US-20130252883-A1 | Macrocycles and Their Uses | NOVARTIS AG (CH) | 2013-09-26 | — | — | US | disclosed |
| US-8476224-B2 | Macrocycles and their uses | NOVARTIS AG (US) | 2013-07-02 | — | — | US | disclosed |
| US-20120108547-A1 | INHIBITORS OF TYROSINE KINASES AND USES THEREOF | PHARMACYCLICS, INC. (US) | 2012-05-03 | — | — | US | disclosed |
| US-20120101065-A1 | INHIBITORS OF TYROSINE KINASES AND USES THEREOF | PHARMACYCLICS, INC. (US) | 2012-04-26 | — | — | US | disclosed |
| US-8067395-B2 | Inhibitors of tyrosine kinases and uses thereof | PHARMACYCLICS, INC. (US) | 2011-11-29 | — | — | US | disclosed |
| US-20110117147-A1 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-05-19 | — | — | US | disclosed |
| US-20100035841-A1 | INHIBITORS OF TYROSINE KINASES AND USES THEREOF | PHARMACYCLICS, INC. (US) | 2010-02-11 | — | — | US | disclosed |
| WO-2009123355-A2 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-10-08 | — | — | WO | disclosed |
| US-20060100459-A1 | Method for preparing an unsaturated carboxylic acid | JACQUOT ROLAND | 2006-05-11 | — | — | US | disclosed |
| EP-0765853-B1 | PROCESS FOR PREPARING 6-METHYLHEPTAN-2-ONE | KURARAY CO (JP) | 1999-07-07 | — | — | EP | disclosed |
| US-5840992-A | Process for producing 6-methylheptan-2-one | KURARAY CO., LTD. (JP) | 1998-11-24 | — | — | US | disclosed |
| EP-0765853-A1 | PROCESS FOR PREPARING 6-METHYLHEPTAN-2-ONE | KURARAY CO., LTD. (JP) | 1997-04-02 | — | — | EP | disclosed |
| US-4542162-A | EXTRUSION, FOAMING | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-09-17 | — | — | US | disclosed |
| US-4449987-A | HYDROCARBON WAS, A METHYL HEPTENONE; COUMARIN AND INDOLE | AVON PRODUCTS, INC. (US) | 1984-05-22 | — | — | US | disclosed |
| US-4026947-A | CHELATE CATALYSTS OF COBALT OR MANGANESE | RHONE-POULENC INDUSTRIES (FR) | 1977-05-31 | — | — | US | disclosed |
| US-3984475-A | IN ALKALI METAL HYDROXIDE AND A PHOSPHONIUM SALT AS THE CATALYST | KURARAY CO., LTD. (JA) | 1976-10-05 | — | — | US | disclosed |