SCHEMBL4987647

SCHEMBL4987647

[C]#CC(C)C[CH2]

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
SCHEMBL24468 0.69
SCHEMBL20523377 0.67
SCHEMBL126145 0.67
SCHEMBL9021497 0.67
SCHEMBL9021489 0.67
SCHEMBL3668085 0.67
SCHEMBL24149 0.67
SCHEMBL2121440 0.65
SCHEMBL129237 0.65
SCHEMBL2327919 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117925256-A Liquid crystal alignment agent, method for producing same, liquid crystal alignment film, and liquid crystal display element 奇美实业股份有限公司 2024-04-26 CN disclosed
WO-2023234426-A1 ANTIBODY-MULTIDRUG CONJUGATE UBE株式会社 2023-12-07 WO disclosed
WO-2023234427-A1 ANTIBODY-MULTIDRUG CONJUGATE PRECURSOR AND SYNTHETIC INTERMEDIATE THEREOF UBE株式会社 2023-12-07 WO disclosed
WO-2023163234-A1 ANTIBODY-DRUG CONJUGATE PRECURSOR AND INTERMEDIATE FOR SYNTHESIS THEREOF UBE株式会社 2023-08-31 WO disclosed
WO-2023163227-A1 ANTIBODY-DRUG CONJUGATE UBE株式会社 2023-08-31 WO disclosed
EP-3696901-A1 LITHIUM SECONDARY BATTERY Samsung SDI Co., Ltd. (KR) 2020-08-19 EP disclosed
US-20200259209-A1 ELECTROLTYE AND LITHIUM BATTERY INCLUDING THE ELECTROLYTE SAMSUNG SDI CO., LTD. (KR) 2020-08-13 US disclosed
US-20080275025-A1 Substituted Lactams and Their Use as Anti-Cancer Agents NOVARTIS AG 2008-11-06 US disclosed
US-7378410-B2 Substituted lactams and their use as anti-cancer agents NOVARTIS AG (CH) 2008-05-27 US disclosed
US-20060281731-A1 Substituted lactams and their use as anti-cancer agents BAIR, KENNETH WALTER 2006-12-14 US disclosed
US-6555533-B2 Specific antitumor activity against breast, colon, lung, prostate cancers and melanomas NOVARTIS AG (CH) 2003-04-29 US disclosed
US-20010044433-A1 Use of certain substituted caprolactams in treating tumors NOVARTIS AG (CH) 2001-11-22 US disclosed
EP-1131297-A1 CERTAIN SUBSTITUTED CAPROLACTAMS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN TREATING TUMORS Novartis AG (CH) 2001-09-12 EP disclosed
US-6239127-B1 CHEMOTHERAPY OF TUMORS, EXHIBIT A HIGH DEGREE OF SELECTIVITY IN KILLING CANCER CELLS. NOVARTIS AG (CH) 2001-05-29 US disclosed
WO-2000029382-A1 CERTAIN SUBSTITUTED CAPROLACTAMS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN TREATING TUMORS NOVARTIS AG (CH) 2000-05-25 WO disclosed
US-5416068-A Alpha-phenylacrylic acid derivatives, their preparation and their use for controlling pests and harmful fungi BASF AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5298527-A Insecticides BASF AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed
US-4345071-A AZIDOALKYL-HETEROCYCLIC AMIDINE INTERMEDIATES LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 1982-08-17 US disclosed
US-4259333-A ANTIBIOTICS, BACTERICIDES LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1981-03-31 US disclosed
US-4229443-A Derivatives of penicillanic acid LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 1980-10-21 US disclosed