SCHEMBL1959929

SCHEMBL1959929

C/C=C(\C#N)C(=O)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
SCHEMBL26755 1.00
SCHEMBL13891834 1.00
Acetonitrile SCHEMBL27978825 0.94 EGFR (0.42)
SCHEMBL4287679 0.85 ALDH1A1 (0.38)
SCHEMBL11571460 0.85 EGFR (0.37)
SCHEMBL4181529 0.83 CISD1 (0.36)
SCHEMBL28039796 0.82 KDM4E (0.35)
SCHEMBL6305464 0.80 KDM4E (0.37)
SCHEMBL6305462 0.80 KDM4E (0.37)
SCHEMBL19019192 0.79 TDP1 (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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151866-A Photosensitive transfer material, method for producing resin pattern, method for producing circuit wiring, and method for producing touch panel 富士胶片株式会社 2022-10-04 CN disclosed
US-20220073522-A1 Substituted Pyrazolo[3,4-d]Pyrimidines as Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2022-03-10 US disclosed
US-11040980-B2 Substituted pyrazolo[3,4-d]pyrimidines as kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2021-06-22 US disclosed
US-20200190092-A1 SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDINES AS KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2020-06-18 US disclosed
US-20190288213-A1 SYSTEMS BASED ON 5-BROMO-7-AZAINDOLE DERIVATIVES AS FUTURE SOLID EMITTERS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2019-09-19 US disclosed
US-20190288213-A1 SYSTEMS BASED ON 5-BROMO-7-AZAINDOLE DERIVATIVES AS FUTURE SOLID EMITTERS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2019-09-19 US disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
EP-3466947-A1 SYSTEMS BASED ON 5-BROMO-7-AZAINDOLE DERIVATIVES AS FUTURE SOLID EMITTERS Consejo Superior De Investigaciones Científicas (ES) 2019-04-10 EP disclosed
US-20180204685-A1 DYE SENSITIZED PHOTOELECTRIC CONVERSION DEVICE KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2018-07-19 US disclosed
WO-2000077079-A2 REACTIVE ADHESIVES AND COATINGS WITH TRIFUNCTIONAL OLEFINIC MONOMERS LORD CORPORATION (US) 2000-12-21 WO disclosed
WO-2000077061-A1 TRIFUNCTIONAL OLEFINIC-CAPPED POLYMERS AND COMPOSITIONS THAT INCLUDE SUCH POLYMERS LORD CORPORATION (US) 2000-12-21 WO disclosed
US-5817670-A RESPIRATORY SYSTEM DISORDERS, ORGAN TRANSPLANTATION, ANTITUMOR AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-10-06 US disclosed
US-5708180-A CYCLIZATION OF UNSATURATED NITRILE, AMIDE OR OXIME BAYER AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
EP-0779292-A1 NOVEL NAPHTHYRIDINE DERIVATIVE AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-06-18 EP disclosed
EP-0335641-B1 Organic nonlinear optical substance TEIJIN LTD (JP) 1994-01-05 EP disclosed
US-5196147-A Optical crystals TEIJIN LIMITED (JP) 1993-03-23 US disclosed
EP-0335641-A2 Organic nonlinear optical substance TEIJIN LIMITED (JP) 1989-10-04 EP disclosed
US-4533595-A MULTILAYER: POLYCARBONATE BASE, SILICONE COATING, AND ADDITION POLYMER LAYER GENERAL ELECTRIC COMPANY (US) 1985-08-06 US disclosed
US-4131747-A Process for preparing α-substituted phenylalkanecarboxylic acid ONO PHARMACEUTICAL CO., LTD. (JP) 1978-12-26 US disclosed