SCHEMBL273394

SCHEMBL273394

Cc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GALR3 O60755 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 2/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
ACHE P22303 1/20 0.30
HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL4928732 0.98 TDP1 (0.40) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL4928738 0.98 TDP1 (0.40) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL1224154 0.91 TSHR (0.41) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL28127457 0.88 TSHR (0.41) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL4923849 0.85 ALDH1A1 (0.39) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL27322672 0.85 MEN1 (0.41) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL10941016 0.85 TSHR (0.39) TSHRALDH1A1TDP1SMN1; SMN2GRIN2D
SCHEMBL27321589 0.82 TDP1 (0.51) TSHRALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL2182723 0.82 ALDH1A1 (0.37) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL4927428 0.82 TDP1 (0.50) TSHRALDH1A1TDP1SMN1; SMN2MEN1

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 1902 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 CN claimed
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
CN-111050856-B Methods for identifying positive allosteric modulators of odorant receptors 弗门尼舍有限公司 2024-12-31 CN claimed
CN-117677381-A Fragrance composition 科蒂公司 2024-03-08 CN claimed
WO-2024033944-A1 FRAGRANCE COMPOSITION AND METHODS THEREOF DABUR INDIA LIMITED (IN) 2024-02-15 WO claimed
CN-116942643-A Anti-inflammatory composition, preparation and application thereof 北京宝婷医药科技有限公司 2023-10-27 CN claimed
CN-115466387-B Method for enriching and detecting artificial musk based on conjugated micro-polymer material 山东省分析测试中心 2023-07-25 CN claimed
CN-116217401-A Safe and continuous production method for preparing xylene musk 山东兴文工业技术研究院有限公司 2023-06-06 CN claimed
CN-114814013-B Method for rapidly screening unknown chemical hazard residues in aquatic products based on high-resolution mass spectrum database 中国海洋大学 2023-06-02 CN claimed
CN-115487866-A Covalent organic framework material coupled nano metal catalyst and preparation method thereof 浙江大学 2022-12-20 CN claimed
CN-1305984-A Process for preparing muskxylol by chemical reaction on waste musk ketone dregs UNIV TIANJIN (CN) 2001-08-01 CN claimed
CN-1294911-A Substituted nitrobenzene derivatives as pharmaceutical and other beneficial uses MEN TEWA (CN) 2001-05-16 CN claimed
EP-0622451-B1 Perfumed hypochlorite bleaching compositions PROCTER & GAMBLE (US) 1998-12-02 EP claimed
EP-0867503-A2 Perfumed hypochlorite bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1998-09-30 EP claimed
US-5501805-A CONTAINING MUSK, SALICYLATE, ADDITIONAL FRAGRANCES; HAVING LOW ODOR INTENSITY LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-03-26 US claimed
CN-1093107-A Natural spice-xinjiang saussurea involucrata essence and preparation method thereof XINJIANG INST CHEMISTRY CAS (CN) 1994-10-05 CN claimed
CN-1062375-A The granulated detergent of amide-containing peroxyacid bleach and spices or bleaching composition PROCTER & GAMBLE (US) 1992-07-01 CN claimed
US-4511552-A TIME-RELEASE AGENTS COX JAMES P 1985-04-16 US claimed
US-4162221-A Synthetic musk-based composition, its production and applications SOCIETE DES PRODUITS CHIMIQUES ET MATIERES COLORANTES DE MULHOUSE (FR) 1979-07-24 US claimed
US-4100110-A Isolongifolene Prins reaction compounds in perfumery BUSH BOAKE ALLEN LIMITED (GB) 1978-07-11 US claimed