SCHEMBL100581

SCHEMBL100581

C=C1[CH]CCCC1

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
SCHEMBL104277 0.97
SCHEMBL6584212 0.97
SCHEMBL101996 0.90
SCHEMBL8763215 0.71
SCHEMBL8763991 0.69 ALDH1A1 (0.39)
SCHEMBL8763984 0.69 ALDH1A1 (0.39)
SCHEMBL8763101 0.69
SCHEMBL8763092 0.69
SCHEMBL8462648 0.65
SCHEMBL1672492 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118164874-A Method for synthesizing chiral aryl compound based on unsaturated hydrocarbon, oxime ester and arylboronic acid 华中师范大学 2024-06-11 CN claimed
CN-117886814-A PD-1/PD-L1 small molecule inhibitor and application thereof in medicines 广东东阳光药业股份有限公司 2024-04-16 CN claimed
CN-115974713-A Fluorine-containing compound, preparation method and compound containing fluorine-containing compound 中国科学技术大学 2023-04-18 CN claimed
CN-115232109-A PD-1/PD-L1 small molecule inhibitor and application thereof in medicines 广东东阳光药业有限公司 2022-10-25 CN claimed
CN-113072521-A ROR gamma t inhibitor and application thereof in medicine 广东东阳光药业有限公司 2021-07-06 CN claimed
EP-3347097-B1 SUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF THE KINASES JAK, FLT3 AND AURORA SUNSHINE LAKE PHARMA CO LTD (CN) 2021-02-24 EP claimed
CN-105803789-B A kind of surface modification of aramid fiber and preparation method thereof 深圳市新纶科技股份有限公司 2018-01-02 CN claimed
WO-2017178511-A1 METHOD OF TREATMENT OF PARKINSONISM FUNDACIÓ CENTRE DE REGULACIÓ GENÒMICA (ES) 2017-10-19 WO claimed
EP-3231434-A1 METHOD OF TREATMENT OF PARKINSONISM Fundacio Centre de Regulacio Genomica (ES) 2017-10-18 EP claimed
US-9765091-B2 Tetrahydropyrazolo [3,4-b] azepine derivatives and their use as allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2017-09-19 US claimed
US-20020016010-A1 Synthesis of compounds and libraries of compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-02-07 US claimed
EP-1066295-A2 SYNTHESIS OF COMPOUNDS AND LIBRARIES OF COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-01-10 EP claimed
WO-1999048897-A2 SYNTHESIS OF COMPOUNDS AND LIBRARIES OF COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-09-30 WO claimed
EP-0332022-B1 Magnetic protein conjugates, process for their production and their use BEHRINGWERKE AG (DE) 1994-11-30 EP claimed
US-4927902-A REACTION PRODUCT OF HYDROGEN SULFIDE OR ORGANIC DITHIOLS WITH POLYGLYCIDYL SUBSTITUTED AMINES HENKEL CORPORATION (US) 1990-05-22 US claimed
EP-0332022-A2 Magnetic protein conjugates, process for their production and their use BEHRINGWERKE Aktiengesellschaft (DE) 1989-09-13 EP claimed
EP-0329093-A2 Polythiols and use as epoxy resin curing agents HENKEL CORPORATION (a Delaware corp.) (US) 1989-08-23 EP claimed
US-4716168-A STIMULANTS OF IMMUNE RESPONSE NORWICH EATON PHARMACEUTICALS, INC. (US) 1987-12-29 US claimed
EP-0187705-A2 Imidazo(4,5-f)quinolines useful as immunomodulating agents Norwich Eaton Pharmaceuticals, Inc. (US) 1986-07-16 EP claimed
US-4560648-A CONJUGATED THROUGH THIO GROUP OF B-GALACTOSIDASE SYNTEX (U.S.A.) INC. (US) 1985-12-24 US claimed