SCHEMBL42451

SCHEMBL42451

NCc1cccc(Br)c1

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
SCHEMBL29469769 1.00
SCHEMBL3401008 1.00 TAAR1 (0.68)
Bromide SCHEMBL4208477 0.98 TAAR1 (0.65)
Hydrochloric Acid SCHEMBL302987 0.98 TAAR1 (0.65)
Iodide SCHEMBL31162584 0.98 TAAR1 (0.65)
Iodide SCHEMBL28639359 0.98 TAAR1 (0.65)
SCHEMBL27944031 0.86 TAAR1 (0.53)
SCHEMBL235748 0.81 TAAR1 (1.00)
SCHEMBL10422276 0.81 LOXL2 (0.71)
SCHEMBL36008 0.81 LOXL2 (0.71)

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 1186 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119977906-A A-site cation-regulated halide perovskite, and preparation method and application thereof 西北大学 2025-05-13 CN claimed
CN-119912457-A Pyrimidine triazole compound as well as preparation method and application thereof 郑州大学 2025-05-02 CN claimed
CN-118976370-B Positively charged nanofiltration membrane based on quaternized monomers and preparation method and application thereof 同济大学 2025-03-21 CN claimed
CN-119140080-B Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2025-02-11 CN claimed
CN-119140080-A Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2024-12-17 CN claimed
CN-118976370-A Positively charged nanofiltration membrane based on quaternized monomers and preparation method and application thereof 同济大学 2024-11-19 CN claimed
CN-114751867-B Feed additive and preparation method and application thereof 重庆市万虹饲料有限公司 2024-09-06 CN claimed
CN-117924210-A Preparation method of 2-iminothiazolidine-4-ketone compound 赣南师范大学 2024-04-26 CN claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
CN-114651898-B Triazole feed additive for improving immunity as well as preparation method and application thereof 天津溢佳同惠科技集团有限公司 2024-04-05 CN 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
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP 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