SCHEMBL69613

SCHEMBL69613

O=[N+]([O-])c1ccccc1CCl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
TSHR P16473 1/20 1.00
HPGD P15428 1/20 0.58
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.48
CA12 O43570 1/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL30261877 1.00 ALDH1A1 (1.00) ALDH1A1TSHRHPGDTDP1NPC1
(Chloromethyl)Benzene SCHEMBL10787010 0.91 ALDH1A1 (0.82) ALDH1A1TSHRHPGDTDP1NPC1
SCHEMBL10569740 0.88 ALDH1A1 (0.79) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL5186181 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDTDP1NPC1
SCHEMBL3202573 0.84 ALDH1A1 (0.72) ALDH1A1TSHRHPGDTDP1NPC1
SCHEMBL27645574 0.83 ALDH1A1 (0.70) ALDH1A1TSHRHPGDTDP1NPC1
SCHEMBL68381 0.83 ALDH1A1 (0.70) ALDH1A1TSHRHPGDTDP1NPC1
SCHEMBL29699944 0.83 ALDH1A1 (0.70) ALDH1A1TSHRHPGDTDP1NPC1
SCHEMBL301933 0.82 ALDH1A1 (0.69) ALDH1A1TSHRHPGDTDP1NPC1
SCHEMBL5604297 0.82 TSHR (0.69) ALDH1A1TSHRHPGDTDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478045-B Method for synthesizing nitrobenzoic acid by one-step oxidation of nitrobenzyl chloride 南昌大学 2025-02-07 CN claimed
EP-4400166-A2 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2024-07-17 EP claimed
CN-118146068-A Method for preparing (substituted) benzyl alcohol/aldehyde by rapid phase transfer hydrolysis of benzyl chloride 南京工业大学 2024-06-07 CN claimed
EP-3565484-B1 COMPOSITIONS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS CONTRALINE INC (US) 2024-04-03 EP claimed
CN-115784846-B Preparation method of 2,6-dihydroxytoluene 安徽英特美科技有限公司 2024-01-16 CN claimed
CN-116478045-A Method for synthesizing nitrobenzoic acid by one-step oxidation of nitrobenzyl chloride 南昌大学 2023-07-25 CN claimed
CN-115784846-A Preparation method of 2,6-dihydroxytoluene 安徽英特美科技有限公司 2023-03-14 CN claimed
CN-113754543-B Method for separating high-boiling-point isomer by utilizing gas phase adsorption of hierarchical pore silicon molecular sieve 南京工业大学 2022-09-20 CN claimed
CN-110540526-B Carane acidyl 1,2, 3-triazole compound and preparation method and application thereof 广西大学 2022-08-30 CN claimed
CN-107298645-B Method for preparing 2, 2' -dinitrobibenzyl 甘肃皓天医药科技有限责任公司 2020-04-03 CN claimed
US-4323645-A Organic halogen compounds for negative-working silver halide emulsions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-04-06 US claimed
EP-0046917-A1 Polyisocyanate mixtures of the diphenylmethane class, as well as their use as synthesis components in the manufacture of polyurethanes by the isocyanate-polyaddition process BAYER AG (DE) 1982-03-10 EP claimed
EP-0045570-A1 Use of organic halogen compounds to reduce or prevent fog in negative-working silver halide emulsions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-10 EP claimed
US-4283565-A REACTING A BENZYL HALIDE WITH A FORMATE, CONTACTING WITH AN ALCOHOL TO TRANSESTERIFY DYNAMIT NOBEL AG (DE) 1981-08-11 US claimed
US-4257915-A USE IN PHOTOPOLYMERIZATION OF ETHYLENICALLY UNSATURATED MONOMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 US claimed
EP-0024665-A1 Diisocyanates or mixtures of diisocyanates of the diphenyl-methane series, process for their preparation and their use as a synthesis component to produce polyurethane plastics according to the isocyanate-polyaddition process BAYER AG (DE) 1981-03-11 EP claimed
US-4203928-A Process for the preparation of 2-nitrobenzaldehyde BAYER AKTIENGESELLSCHAFT (DE) 1980-05-20 US claimed
US-4151165-A USING AN AROMATIC NITRO COMPOUND IN OXYGEN-FREE, AQUEOUS ENVIRONMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-04-24 US claimed
US-4059610-A Process for preparing isocyanic acid derivatives KAO SOAP CO., LTD. (JA) 1977-11-22 US claimed
US-4051168-A TO FORM FLUOROALKYL AROMATIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-27 US claimed