SCHEMBL3512236

SCHEMBL3512236

COC(=O)C(C)=CC#N

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
SCHEMBL3512235 1.00
SCHEMBL11214261 0.78 ALDH1A1 (0.35)
SCHEMBL17535444 0.76
SCHEMBL17535442 0.76
SCHEMBL16330470 0.76
SCHEMBL14576672 0.76 ALDH1A1 (0.48)
SCHEMBL21348194 0.76 TSHR (0.41)
SCHEMBL28031703 0.76
SCHEMBL12364286 0.76 ALDH1A1 (0.48)
SCHEMBL27074465 0.76 TSHR (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110172264-A A kind of preparation method of high temperature resistant type oil paint 北京点域科技有限公司 2019-08-27 CN claimed
US-20100279900-A1 SOLID SUPPORT COMPRISING A FUNCTIONALIZED ELECTRICITY CONDUCTOR OR SEMICONDUCTOR SURFACE, METHOD FOR PREPARING SAME AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE 2010-11-04 US claimed
US-20050272143-A1 Solid support comprising a functionalized electricity conductor or semiconductor surface, method for preparing same and uses thereof COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-12-08 US claimed
CN-111848732-B Polypeptide composition and vaccine 上海细胞治疗集团有限公司 2024-03-12 CN disclosed
CN-111848733-B Polypeptide composition and vaccine 上海细胞治疗集团有限公司 2024-03-12 CN disclosed
US-11884814-B2 Resin composition AJINOMOTO CO., INC. (JP) 2024-01-30 US disclosed
CN-114729076-A Non-thiol nitrogen-based hydrophobic polymer brush materials and their use for substrate surface modification 默克专利股份有限公司 2022-07-08 CN disclosed
CN-110172264-A A kind of preparation method of high temperature resistant type oil paint 北京点域科技有限公司 2019-08-27 CN disclosed
CN-110172264-A A kind of preparation method of high temperature resistant type oil paint 北京点域科技有限公司 2019-08-27 CN disclosed
US-9625618-B2 Optical member set and solid-state imaging element using the same FUJIFILM CORPORATION (JP) 2017-04-18 US disclosed
EP-2799913-B1 OPTICAL MEMBER SET AND SOLID-STATE IMAGE SENSOR USING SAME FUJIFILM CORP (JP) 2017-02-01 EP disclosed
WO-1999013919-A1 NOVEL TARGETED CONTRAST AGENTS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP. (US) 1999-03-25 WO disclosed
CN-1187137-A Novel targeted compositions for diagnosis and therapy IMARX PHARMACEUTICAL CORP (US) 1998-07-08 CN disclosed
EP-0831932-A1 NOVEL TARGETED COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP. (US) 1998-04-01 EP disclosed
WO-1996040285-A1 NOVEL TARGETED COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP. (US) 1996-12-19 WO disclosed
EP-0332405-B1 SURGICAL ADHESIVE SANYO CHEMICAL INDUSTRIES LTD. (JP) 1993-08-25 EP disclosed
US-4994542-A Surgical adhesive ASAHI GLASS CO., LTD. (JP) 1991-02-19 US disclosed
EP-0332405-A2 Surgical adhesive SANYO CHEMICAL INDUSTRIES LTD. (JP) 1989-09-13 EP disclosed
US-4806614-A POLYETHERURETHANE COPOLYMER CONTAINING UNSATURATED CYANO COMPOUND SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1989-02-21 US disclosed
US-4740534-A POLYETHERURETHANES WITH UNSURATED CYANO COMPOUNDS; RAPID CURE SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-26 US disclosed