SCHEMBL452679

SCHEMBL452679

CC(C)(C)CCC[O]

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL498050 0.90
SCHEMBL3202183 0.87 FFAR1 (0.35)
SCHEMBL3623704 0.87 FFAR1 (0.35)
SCHEMBL17968537 0.87 FFAR1 (0.35)
SCHEMBL3613220 0.87 FFAR1 (0.35)
SCHEMBL4643808 0.87 FFAR1 (0.35)
SCHEMBL3611826 0.87 FFAR1 (0.35)
SCHEMBL3623717 0.87 FFAR1 (0.35)
SCHEMBL4641682 0.87 FFAR1 (0.35)
SCHEMBL3623149 0.87 FFAR1 (0.35)

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 295 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117983300-A Catalyst containing N-triptycene ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-115003659-A 5-membered heteroaryl amino sulfonamides for the treatment of conditions mediated by a deficiency in CFTR activity 健赞公司 2022-09-02 CN claimed
WO-2021097057-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION (US) 2021-05-20 WO claimed
EP-2752419-B1 SPIROBENZYLAMINE-PHOSPHINE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2019-01-02 EP claimed
EP-2275398-B1 APPLICATION OF AN IRIDIUM COMPLEX IN ASYMMETRIC CATALYTIC HYDROGENATION OF AN UNSATURATED CARBOXYLIC ACID ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2016-05-04 EP claimed
US-9108995-B2 Spirobenzylamine-phosphine, preparation method therefor and use thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2015-08-18 US claimed
EP-2272853-B1 SPIRO PHOSPHORUS-OXAZOLINE, SYNTHESIS AND USE THEREOF ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2014-08-27 EP claimed
US-20140194638-A1 Spirobenzylamine-Phosphine, Preparation Method Therefor And Use Thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2014-07-10 US claimed
EP-2752419-A1 SPIROBENZYLAMINE-PHOSPHINE, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2014-07-09 EP claimed
US-8450493-B2 Spiro phosphine-oxazoline, preparation method and application thereof Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2013-05-28 US claimed
US-20110118472-A1 Spiro Phosphine-Oxazoline, Preparation Method and Application thereof Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2011-05-19 US claimed
US-20110092732-A1 APPLICATION OF IRIDIUM COMPLEXES IN ASYMMETRIC CATALYTIC HYDROGENATION OF UNSATURATED CARBOXYLIC ACIDS Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2011-04-21 US claimed
EP-2275398-A1 APPLICATION OF THE IRIDIUM COMPLEX IN ASYMMETRIC CATALYTIC HYDROGENATION FOR UNSATURATED CARBOXYLIC ACID Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2011-01-19 EP claimed
EP-2272853-A1 SPIRO PHOSPHORUS-OXAZOLINE, SYNTHESIS AND USE THEREOF Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2011-01-12 EP claimed
EP-3700978-B1 POLYSILOXANE COMPOSITION WACKER CHEMIE AG (DE) 2024-07-17 EP disclosed
US-11981817-B2 Hydrogen sulfide scavengers for asphalt ECOLAB USA INC. (US) 2024-05-14 US disclosed
US-4847259-A Nitrogen-containing heterocyclic compounds, and use as insecticide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-07-11 US disclosed
US-4714706-A JUVENILE HORMONE INHIBITORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-12-22 US disclosed
EP-0203798-A2 Nitrogen-containing heterocyclic compounds, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-12-03 EP disclosed