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