SCHEMBL449954

SCHEMBL449954

N#CCCC=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
SCHEMBL27479420 0.97
SCHEMBL5912348 0.83 ALDH1A1 (0.42)
SCHEMBL5912343 0.83 ALDH1A1 (0.42)
SCHEMBL1881094 0.81
SCHEMBL557134 0.79
SCHEMBL441891 0.79 ALDH1A1 (0.34)
SCHEMBL23578504 0.77 TSHR (0.46)
SCHEMBL8811768 0.77 TSHR (0.46)
SCHEMBL5912856 0.77 TSHR (0.46)
SCHEMBL986285 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3760623-B1 TETRAHYDRO-PYRIDO[3,4-B]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2026-03-18 EP claimed
CN-117658820-B Preparation method of butanediamine 万华化学集团股份有限公司 2026-02-27 CN claimed
EP-3768272-B1 JAK INHIBITORS LIAO XIBIN (US) 2025-07-30 EP claimed
WO-2024204554-A1 SPIROCYCLIC MORPHINAN DERIVATIVE 日本ケミファ株式会社 2024-10-03 WO claimed
US-20240116909-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-04-11 US claimed
CN-117658820-A Preparation method of butanediamine 万华化学集团股份有限公司 2024-03-08 CN claimed
CN-111936144-B JAK inhibitors 廖细斌 2023-12-22 CN claimed
US-10202345-B2 Substituted azaspiro(4.5)decane derivatives GRUENENTHAL GMBH (DE) 2019-02-12 US claimed
EP-1910387-B1 COMPOUNDS FOR PREPARING IMMUNOLOGICAL ADJUVANT EISAI R&D MAN CO LTD (JP) 2016-11-16 EP claimed
CN-103012169-B Compound for preparing immunological adjuvant Sanitary Material R&D Management Co.,Ltd. (JP) 2016-04-20 CN claimed
EP-0885877-A1 Process for hydrogenation of cyanopropionaldehyde-containing cyanopropionaldehyde acetals AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-12-23 EP claimed
US-5847220-A Process for hydrogenation of cyanopropionaldehyde-containing cyanopropionaldehyde acetals AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-12-08 US claimed
EP-0628638-A2 Process for preparing 2-amino-3-hydroxy acids ELI LILLY AND COMPANY (US) 1994-12-14 EP claimed
EP-0030860-B1 CATALYSTS FOR HYDROFORMYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS AND PROCESS UTILISING THE CATALYSTS THE STANDARD OIL COMPANY (US) 1983-06-22 EP claimed
EP-0030860-A1 Catalysts for hydroformylation of olefinically unsaturated compounds and process utilising the catalysts THE STANDARD OIL COMPANY (US) 1981-06-24 EP claimed
US-4186003-A Hybrid fix system incorporating photodegradable polymers XEROX CORPORATION (US) 1980-01-29 US claimed
US-4183866-A USING PREREDUCED COPPER CHOMITE HYDROGENATION CATALYST CHEVRON RESEARCH COMPANY (US) 1980-01-15 US claimed
US-4102686-A DURABLE PHOTORESIST, LONG RUNNING OFFSET PRINTING PLATE POLYCHROME CORPORATION (US) 1978-07-25 US claimed
US-4090880-A Lithographic printing plate and method of making same POLYCHROME CORPORATION (US) 1978-05-23 US claimed
US-4013572-A Hybrid fix system incorporating photodegradable polymers XEROX CORPORATION (US) 1977-03-22 US claimed