SCHEMBL42818

SCHEMBL42818

[CH2]C(C)c1ccccc1

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
SCHEMBL316110 1.00
SCHEMBL1870280 1.00
Hydrochloric Acid SCHEMBL10398523 0.97 TDP1 (0.48)
SCHEMBL691332 0.84 PTGS2 (0.54)
SCHEMBL9539624 0.83 ESR1 (0.38)
SCHEMBL3750772 0.80 KDM4E (0.46)
SCHEMBL692014 0.78 ALDH1A1 (0.52)
SCHEMBL9211272 0.77 MIF (0.43)
SCHEMBL2093738 0.77 MIF (0.43)
SCHEMBL1989835 0.77 TSHR (0.46)

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

Appears in 15227 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043719-B2 Flame retardant mixture CLARIANT INTERNATIONAL LTD (CH) 2024-07-23 US claimed
US-20240188441-A1 LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND, ELECTRONIC APPARATUS AND ELECTRONIC DEVICE INCLUDING THE LIGHT-EMITTING DEVICE, AND THE CONDENSED CYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2024-06-06 US claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
CN-117466771-A Green preparation method of alpha-aminonitrile 山东达因海洋生物制药股份有限公司 2024-01-30 CN claimed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US claimed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US claimed
EP-4185564-A1 TRICYCLIC HETEROCYCLES Merck Patent GmbH (DE) 2023-05-31 EP claimed
WO-2023086016-A2 METHODS OF ALKENE FUNCTIONALISATION NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-05-19 WO claimed
CN-116134016-A Tricyclic heterocycles 默克专利股份公司 2023-05-16 CN claimed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO claimed
WO-1983001618-A1 ORGANIC PHOTOCONDUCTORS HAVING IMPROVED PRE-EXPOSURE FATIGUE RESISTANCE AND BLOOMING PROPERTIES JAMES RIVER GRAPHICS INC (US) 1983-05-11 WO claimed
EP-0076557-A2 Peptides and pseudopeptides in which the N terminus bears two substituents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-13 EP claimed
US-4234702-A LONG CHAIN HYDROCARBON SUBSTITUTED POLYSILOXANE, COMPATIBILITY WITH RUBBER TORAY SILICONE COMPANY, LTD (JP) 1980-11-18 US claimed
US-4201864-A CHEMICAL INTERMEDIATES, PROSTAGLANDINS BEECHAM GROUP LIMITED (GB) 1980-05-06 US claimed
US-4077937-A ACETYLENIC CARBAMATE AS CROSSLINKING INHIBITOR SHIN-ETSU CHEMICAL CO., LTD. (JA) 1978-03-07 US claimed
US-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US claimed
US-4015974-A HERBICIDES, INSECTICIDES, NEMATOCIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-04-05 US claimed
US-4004927-A Photographic light-sensitive material containing liquid organopolysiloxane FUJI PHOTO FILM CO., LTD. (JA) 1977-01-25 US claimed
US-3953596-A 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals ICI UNITED STATES INC. (US) 1976-04-27 US claimed
US-3946017-A PRESSURE SENSITIVE MATERIALS BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-03-23 US claimed