SCHEMBL2863085

SCHEMBL2863085

NCCCn1[c]ncc1

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
SCHEMBL8919417 0.78
SCHEMBL4932702 0.77
SCHEMBL2425815 0.71
SCHEMBL9169349 0.70 SIGMAR1 (0.46)
SCHEMBL9168903 0.68
SCHEMBL4932188 0.64
SCHEMBL4780510 0.62
SCHEMBL854767 0.62
SCHEMBL8491533 0.62
Hydrochloric Acid SCHEMBL2247867 0.61 NOS1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567543-A Anemonin B4 derivative and preparation method and application thereof 苏州大学 2024-02-20 CN claimed
US-7416845-B2 pH dependent ion exchange material, solid substrate having the material immobilized on its surface, and method of isolating a nucleic acid using the material or the solid substrate SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-08-26 US claimed
US-20060263812-A1 pH dependent ion exchange material, solid substrate having the material immobilized on its surface, and method of isolating a nucleic acid using the material or the solid substrate SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-11-23 US claimed
EP-1155001-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2003-05-28 EP claimed
US-6417195-B1 LIBRARIES AND COMBINATORIAL CHEMISTRY LION BIOSCIENCE AG (DE) 2002-07-09 US claimed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5916899-A SOLID PHASE SYNTHESIS, REACTING PROTECTED AMINO ACID WITH SOLID SUPPORT; FORMING IMINE BY REACTION WITH ALDEHYDE, CYCLIZATION WITH ANHYDRIDE, CLEAVAGE AND DEPROTECTION. TREGA BIOSCIENCES, INC. (US) 1999-06-29 US claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
CN-1202888-A Isoquinoline derivatives and isoquinoline combinatorial libraries TORREY PINES INST (US) 1998-12-23 CN claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
CN-117567543-A Anemonin B4 derivative and preparation method and application thereof 苏州大学 2024-02-20 CN disclosed
EP-1881549-B1 Electrode for fuel cell and fuel cell employing the electrode SAMSUNG SDI CO LTD (KR) 2016-04-13 EP disclosed
US-8679705-B2 Electrode for fuel cell and fuel cell employing the electrode SAMSUNG SDI CO., LTD. (KR) 2014-03-25 US disclosed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US disclosed
CN-1202888-A Isoquinoline derivatives and isoquinoline combinatorial libraries TORREY PINES INST (US) 1998-12-23 CN disclosed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP disclosed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO disclosed