SCHEMBL129338

SCHEMBL129338

Br[Mg]CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TAAR1 Q96RJ0 3/20 0.46
CYP2A6 P11509 1/20 0.46
HTR2A P28223 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
TRPA1 O75762 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 2/20 0.42
CALM1 P0DP23 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL1720 0.85 SIGMAR1 (0.48) TDP1ALDH1A1HPGDALOX15ALOX12
SCHEMBL7163153 0.83 MAOA (0.52) TDP1HTR2AL3MBTL1MAOAMAOB
SCHEMBL9428184 0.81 SIGMAR1 (0.52) L3MBTL1MAOAMAOBSIGMAR1
SCHEMBL7166792 0.81 SIGMAR1 (0.52) L3MBTL1MAOAMAOBSIGMAR1
SCHEMBL15530118 0.81 SIGMAR1 (0.52) L3MBTL1MAOAMAOBSIGMAR1
SCHEMBL9671296 0.81 SIGMAR1 (0.52) L3MBTL1MAOAMAOBSIGMAR1
SCHEMBL9080595 0.81 FFAR1 (0.53) TSHRMAOA
SCHEMBL6944560 0.81 LMNA (0.39) TDP1ALDH1A1TAAR1L3MBTL1
SCHEMBL10890319 0.78 ALDH1A1 (0.52) TDP1ALDH1A1HPGDALOX15ALOX12
SCHEMBL11155677 0.77 TAAR1 (0.52) ALDH1A1TAAR1CYP2A6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO claimed
CN-119930381-A Synthesis method of Z-configuration chiral olefin 深圳连续制药科技有限公司 2025-05-06 CN claimed
CN-119504542-A Asymmetric high-efficiency synthesis method for realizing latanoprost through enzyme catalysis 西南交通大学 2025-02-25 CN claimed
CN-116217319-B Method for desymmetrizing reaction of meso allyl ether 哈尔滨工业大学(深圳) 2025-02-11 CN claimed
CN-113717019-B Continuous flow reaction method for asymmetric allyl alkylation reaction 哈尔滨工业大学(深圳) 2024-12-31 CN claimed
CN-118908996-A A composition containing C (sp2) P bond or C (sp)3) Process for preparing organic phosphine compound of-P bond 烟台大学 2024-11-08 CN claimed
CN-118373723-A Asymmetric alkylation reaction method of chain racemization allyl ether 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) 2024-07-23 CN claimed
CN-115583863-B Asymmetric allyl alkylation reaction method 哈尔滨工业大学(深圳) 2023-10-31 CN claimed
CN-116903552-A Chiral alpha-amino alcohol compound and preparation method and application thereof 上海大学 2023-10-20 CN claimed
CN-116217319-A Method for desymmetrizing reaction of meso allyl ether 哈尔滨工业大学(深圳) 2023-06-06 CN claimed
CN-115991691-B Preparation method and application of latanoprost intermediate 西南交通大学 2023-05-16 CN claimed
CN-115991691-A Preparation method and application of latanoprost advanced intermediate 西南交通大学 2023-04-21 CN claimed
CN-115583863-A Method for asymmetric allyl alkylation reaction 哈尔滨工业大学(深圳) 2023-01-10 CN claimed
CN-113717019-A Continuous flow reaction method for asymmetric allyl alkylation reaction 哈尔滨工业大学(深圳) 2021-11-30 CN claimed
EP-0280285-B1 PROCESS FOR MAKING AND ISOLATING (R)-2-HYDROXY 4-PHENYLBUTYRIC ACID AND ESTERS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-02 EP claimed
US-4837354-A Process for making and isolating (R)-2-hydroxy-4-phenylbutyric acid and esters MERRELL DOW PHARMACEUTICALS INC. (US) 1989-06-06 US claimed
EP-0280285-A2 Process for making and isolating (R)-2-hydroxy 4-phenylbutyric acid and esters MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-31 EP claimed
US-4649196-A Process for the manufacture of racemic (R,R; S,S) asocainol WARNER-LAMBERT COMPANY (US) 1987-03-10 US claimed
JP-10087547-A None JP disclosed
US-4058545-A FROM A MAGNESIUM HALIDE AND TETRAORGANO-TIN M&T CHEMICALS INC. (US) 1977-11-15 US disclosed