⚠ 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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL11784656 | 1.00 | ALDH1A1 (0.93) | — | |
| Benzaldehyde SCHEMBL11784651 | 1.00 | ALDH1A1 (0.93) | — | |
| Benzaldehyde SCHEMBL28228478 | 0.97 | ALDH1A1 (0.88) | — | |
| Benzaldehyde SCHEMBL1330097 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL22400699 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL6061133 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL573 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL10051945 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL896024 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL9236967 | 0.97 | — | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107312008-B | A kind of catalysis prepares the catalyst and system and method for benzimidazole simultaneously [2,1-b] quinoline -6- ketone derivatives | 马鞍山市泰博化工科技有限公司 | 2019-08-27 | — | — | CN | claimed |
| CN-219400168-U | Novel reaction kettle for synthesizing p-fluorobenzaldehyde | 上海韬奇生物科技有限公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-110240604-A | A kind of synthetic method of pyrido oxazole derivatives | 荆楚理工学院 | 2019-09-17 | — | — | CN | disclosed |
| CN-109651116-A | Solvent-free microwave method synthesizes 4- phenylmethylene -2,6- di-t-butyl -2,5- cyclohexadiene -1- ketone | 西南大学 | 2019-04-19 | — | — | CN | disclosed |
| CN-108558870-A | The method for synthesizing 2 aryl-pyridines simultaneously [2,3-d] pyrimidine derivatives | 荆楚理工学院 | 2018-09-21 | — | — | CN | disclosed |
| CN-105646504-B | A kind of continuous preparation method of tetraphenylporphines | 唐江涛 | 2018-03-27 | — | — | CN | disclosed |
| CN-106748684-A | A kind of method of fluorobenzaldehyde between m-fluorotoluene continuous oxidation preparation | 常州大学 | 2017-05-31 | — | — | CN | disclosed |
| EP-2291415-B1 | CATALYSTS FOR PREPARING CIS 1,4-POLYDIENES | BRIDGESTONE CORP (JP) | 2016-07-20 | — | — | EP | disclosed |
| US-8664343-B2 | Catalysts for preparing cis 1,4-polydienes | BRIDGESTONE CORPORATION (JP) | 2014-03-04 | — | — | US | disclosed |
| US-20130004894-A1 | UNDER COAT FILM MATERIAL AND METHOD OF FORMING MULTILAYER RESIST PATTERN | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2013-01-03 | — | — | US | disclosed |
| WO-2004072132-A1 | IMPROVED TERMINATION AND REDUCED GEL IN HIGH CIS POLYBUTADIENE | FIRESTONE POLYMERS, LLC (US) | 2004-08-26 | — | — | WO | disclosed |
| US-6727330-B1 | CATALYSIS USING ORGANOALUMINUM, ORGANONICKEL AND FLUORINE-CONTAINING COMPOUND IN MIXTURE COMPRISING AMINE FOR CORROSION RESISTANCE AND CARBOXYLIC ACID | FIRESTONE POLYMERS, LLC | 2004-04-27 | — | — | US | disclosed |
| EP-0980878-B1 | Molecular weight regulation of cis-1,4-polybutadiene using carboxylates | BRIDGESTONE CORP (JP) | 2004-02-25 | — | — | EP | disclosed |
| US-6596825-B1 | Process for forming a high-cis polydiene. The process includes catalyzing a diene polymerization, and terminating the polymerization with an amine-water termination mixture, preferably a TMEDA-water termination mixture. The catalyst | FIRESTONE POLYMERS, LLC | 2003-07-22 | — | — | US | disclosed |
| EP-0980878-A1 | Molecular weight regulation of cis-1,4-polybutadiene using carboxylates | Bridgestone Corporation (JP) | 2000-02-23 | — | — | EP | disclosed |
| US-5698643-A | USING COORDINATION CATALYST; TIRES | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1997-12-16 | — | — | US | disclosed |
| US-4983695-A | Catalysis with nickel carboxylate, trialkylaluminum, and hydrogen fluoride ether complex | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1991-01-08 | — | — | US | disclosed |
| EP-0093075-B1 | PREPARATION OF HIGH CIS-1,4-POLYBUTADIENE | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1986-12-30 | — | — | EP | disclosed |
| EP-0093075-A1 | Preparation of high cis-1,4-polybutadiene | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1983-11-02 | — | — | EP | disclosed |
| EP-0093074-A1 | Controlling the molecular weight of polybutadiene | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1983-11-02 | — | — | EP | disclosed |