⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1378620 | 0.93 | DNM1 (0.42) | — | |
| SCHEMBL27668890 | 0.91 | DNM1 (0.45) | — | |
| SCHEMBL10494286 | 0.91 | DNM1 (0.45) | — | |
| SCHEMBL14232137 | 0.91 | DNM1 (0.45) | — | |
| SCHEMBL5073007 | 0.91 | DNM1 (0.45) | — | |
| SCHEMBL23781981 | 0.87 | TSHR (0.40) | — | |
| SCHEMBL8062567 | 0.85 | — | — | |
| SCHEMBL23781949 | 0.83 | TSHR (0.34) | — | |
| SCHEMBL10535267 | 0.82 | — | — | |
| SCHEMBL7563361 | 0.81 | HTT (0.44) | — |
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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114450354-A | Low temperature effective intumescent coating composition | SWIMC有限公司 | 2022-05-06 | — | — | CN | claimed |
| EP-0983986-A1 | Process for separating 1,3-butadiene and water from mixtures containing them and 1-n-butoxy-2-butene, 3-n-butoxy-1-butene, n-butanol and di-n-butyl ether | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-08 | — | — | EP | claimed |
| CN-114450354-A | Low temperature effective intumescent coating composition | SWIMC有限公司 | 2022-05-06 | — | — | CN | disclosed |
| US-9815766-B2 | Process for double carbonylation of allyl ethers to corresponding diesters | EVONIK DEGUSSA GMBH (DE) | 2017-11-14 | — | — | US | disclosed |
| US-20170174609-A1 | PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS | EVONIK DEGUSSA GMBH (DE) | 2017-06-22 | — | — | US | disclosed |
| EP-3181547-A1 | METHOD FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS | Evonik Degussa GmbH (DE) | 2017-06-21 | — | — | EP | disclosed |
| US-20130288957-A1 | ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-10-31 | — | — | US | disclosed |
| US-8530452-B2 | Tricyclic boron compounds for antimicrobial therapy | MICURX PHARMACEUTICALS, INC. (KY) | 2013-09-10 | — | — | US | disclosed |
| US-20130165411-A1 | TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY | MICURX PHARMACEUTICALS, INC. (KY) | 2013-06-27 | — | — | US | disclosed |
| EP-1802726-B1 | PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF | ADVANCED POLYMERIK PTY LTD (AU) | 2011-11-30 | — | — | EP | disclosed |
| US-20100081693-A1 | THIADIAZOLE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-04-01 | — | — | US | disclosed |
| WO-1998041494-A1 | METHOD FOR PRODUCING N-BUTYRALDEHYDE AND/OR N-BUTANOL | BASF AKTIENGESELLSCHAFT (DE) | 1998-09-24 | — | — | WO | disclosed |
| CN-1179145-A | Process for preparing 3-pentenoate by carbonylation of alkoxybutenes | BASF AG (DE) | 1998-04-15 | — | — | CN | disclosed |
| WO-1998012164-A2 | PROCESS FOR PRODUCING n-BUTYLALKYL ETHERS | BASF AKTIENGESELLSCHAFT (DE) | 1998-03-26 | — | — | WO | disclosed |
| EP-0815070-A1 | METHOD OF PRODUCING 3-PENTENIC ACID ESTERS BY CARBONYLATION OF ALKOXYBUTENES | BASF AKTIENGESELLSCHAFT (DE) | 1998-01-07 | — | — | EP | disclosed |
| US-5705707-A | REACTING 1,3-BUTADIENE WITH ALCOHOL; ISOMERIZATION USING TRANSITION METAL CATALYST; HYDROGENATION, HYDROLYSIS | BASF AKTIENGESELLSCHAFT (DE) | 1998-01-06 | — | — | US | disclosed |
| CN-1138849-A | Process for producing n-butyraldehyde and/or n-butanol | BASF AG (DE) | 1996-12-25 | — | — | CN | disclosed |
| EP-0739332-A1 | PROCESS FOR PRODUCING n-BUTYRALDEHYDE AND/OR n-BUTANOL | BASF AKTIENGESELLSCHAFT (DE) | 1996-10-30 | — | — | EP | disclosed |
| WO-1996029300-A1 | METHOD OF PRODUCING 3-PENTENIC ACID ESTERS BY CARBONYLATION OF ALKOXYBUTENES | BASF AKTIENGESELLSCHAFT (DE) | 1996-09-26 | — | — | WO | disclosed |
| WO-1995019334-A1 | PROCESS FOR PRODUCING n-BUTYRALDEHYDE AND/OR n-BUTANOL | BASF AKTIENGESELLSCHAFT (DE) | 1995-07-20 | — | — | WO | disclosed |