SCHEMBL6161515

SCHEMBL6161515

CC(C)CNCCC#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
SCHEMBL11223644 0.81
SCHEMBL11336671 0.81
SCHEMBL8400142 0.81 TSHR (0.50)
SCHEMBL11139855 0.79 TSHR (0.33)
SCHEMBL31616924 0.76 TSHR (0.39)
SCHEMBL5231441 0.76
SCHEMBL7676599 0.75
SCHEMBL7762482 0.75 ALDH1A1 (0.33)
SCHEMBL19999959 0.75 TSHR (0.38)
SCHEMBL1005943 0.74 ADH1B (0.45)

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025119782-A1 METHOD FOR THE MANUFACTURE OF NEW AMINE EVONIK OPERATIONS GMBH (DE) 2025-06-12 WO claimed
US-4394257-A Froth flotation process AMERICAN CYANAMID COMPANY (US) 1983-07-19 US claimed
US-4058390-A Amine salts of phenyl-4-hydroxypyridazines and the preparation and herbicidal compositions thereof CHEMIE LINZ AKTIENGESELLSCHAFT (OE) 1977-11-15 US claimed
WO-2025119782-A1 METHOD FOR THE MANUFACTURE OF NEW AMINE EVONIK OPERATIONS GMBH (DE) 2025-06-12 WO disclosed
US-20210221796-A1 ANTIBACTERIAL COMPOUNDS BLACKSMITH MEDICINES, INC. 2021-07-22 US disclosed
CN-112812090-A Xanthene dye, coloring composition containing the dye, coloring agent for color filter, and color filter 保土谷化学工业株式会社 2021-05-18 CN disclosed
EP-3600678-B1 PROCESS TO TREAT METAL OR MINERAL ORES AND COLLECTOR COMPOSITION THEREFOR NOURYON CHEMICALS INT BV (NL) 2021-05-05 EP disclosed
EP-3636346-A1 PROCESS TO TREAT ORES AND COLLECTOR COMPOSITION THEREFOR Nouryon Chemicals International B.V. (NL) 2020-04-15 EP disclosed
WO-2020061375-A1 ANTIBACTERIAL COMPOUNDS FORGE THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed
US-20200048735-A1 PROCESS TO TREAT METAL OR MINERAL ORES AND COLLECTOR COMPOSITION THEREFOR NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-02-13 US disclosed
EP-3600678-A1 PROCESS TO TREAT METAL OR MINERAL ORES AND COLLECTOR COMPOSITION THEREFOR Nouryon Chemicals International B.V. (NL) 2020-02-05 EP disclosed
CN-102361887-A Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2012-02-22 CN disclosed
EP-1210335-B1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 EP disclosed
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 US disclosed
US-4532031-A Using frother compound having sulfide and ester groups AMERICAN CYANAMID COMPANY (US) 1985-07-30 US disclosed
US-4421693-A INSECTICIDES, MITICIDES OR NEMATOCIDES OTSUKA CHEMICAL CO., LTD. (JP) 1983-12-20 US disclosed
US-4413005-A 2,3-DIHYDRO-2,2-DIMETHYLBENZOFURAN-7-YL DERIVATIVES OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1983-11-01 US disclosed
US-4394257-A Froth flotation process AMERICAN CYANAMID COMPANY (US) 1983-07-19 US disclosed
US-4058390-A Amine salts of phenyl-4-hydroxypyridazines and the preparation and herbicidal compositions thereof CHEMIE LINZ AKTIENGESELLSCHAFT (OE) 1977-11-15 US disclosed