SCHEMBL1212

SCHEMBL1212

O=COCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.61
AKR1C3 P42330 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.52
TSHR P16473 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAOB P27338 1/20 0.46
CHRM2 P08172 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 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
Trifluoroacetic Acid SCHEMBL29288520 0.86 KCNJ1 (0.50) IDO1AKR1C3TSHRRAB9AMAOB
SCHEMBL88305 0.81 TSHR (0.55) IDO1AKR1C3LOXL2TSHRCHRM2
SCHEMBL11392894 0.81 CA2 (0.39) IDO1TSHRCA12CA1CA2
SCHEMBL7005138 0.81 CYP19A1 (0.45) IDO1AKR1C3TSHRALDH1A1POLB
SCHEMBL8062311 0.79 IDO1 (0.70) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL37463 0.79 IDO1 (0.70) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL96364 0.79 TSHR (0.57) TSHRMAPTRAB9AMAOBALDH1A1
SCHEMBL5546769 0.79 TSHR (0.51) IDO1LOXL2TSHRCHRM2
SCHEMBL8764789 0.78 IDO1 (0.58) IDO1AKR1C3LOXL2TSHRCA12
Hydrochloric Acid SCHEMBL9147595 0.78 IDO1 (0.56) IDO1AKR1C3LOXL2TSHRCA12

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

Appears in 16443 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209009-A1 PEPTIDES COMPRISING A PHOSPHORYLCHOLINE CONJUGATE AND METHODS OF SYNTHESIZING SAME TARSIER PHARMA LTD. (IL) 2024-06-27 US claimed
WO-2024081372-A1 PROCESSES FOR THE PREPARATION OF THE AGENT-LINKER CONJUGATE CL2A-SN-38 AND THE IMMUNOCONJUGATES SACITUZUMAB GOVITECAN AND LABETUZUMAB GOVETICAN GILEAD SCIENCES, INC. (US) 2024-04-18 WO claimed
EP-4326738-A1 PEPTIDES COMPRISING A PHOSPHORYLCHOLINE CONJUGATE AND METHODS OF SYNTHESIZING SAME Tarsier Pharma Ltd. (IL) 2024-02-28 EP claimed
CN-117500817-A Peptides comprising phosphorylcholine conjugates and methods of synthesizing the same 塔西亚制药公司 2024-02-02 CN claimed
US-20230390386-A1 REPLICATION-DEFECTIVE VACCINES AND USES THEREOF UNIV RUTGERS (US) 2023-12-07 US claimed
EP-4282973-A2 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-11-29 EP claimed
EP-4236996-A1 REPLICATION-DEFECTIVE VACCINES AND USES THEREOF Rutgers, the State University of New Jersey (US) 2023-09-06 EP claimed
WO-2023160652-A1 SUBSTITUTED FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF 苏州亚宝药物研发有限公司 2023-08-31 WO claimed
CN-116462731-A Cyclovirobuxine D diastereoisomer, preparation method and application 中国药科大学 2023-07-21 CN claimed
CN-116396296-A Preparation method of ertapenem 武汉瑞晟药业有限公司 2023-07-07 CN claimed
US-4012345-A POLYPEPTIDES WHICH INHIBIT SECRETION OF GROWTH HORMONE SOMATOTROPIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-15 US claimed
US-4012380-A 7-Acylamino-3-acyl-2(or 3)cephems ELI LILLY AND COMPANY (US) 1977-03-15 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3997517-A PEPTIDE AMERICAN HOME PRODUCTS CORPORATION (US) 1976-12-14 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
US-3991041-A GROWTH HORMONE RELEASE INHIBITOR AMERICAN HOME PRODUCTS CORPORATION (US) 1976-11-09 US claimed
US-3984417-A Method of producing active amino acid esters AJINOMOTO CO., INC. (JA) 1976-10-05 US claimed
US-3978063-A 1,2,3,4-Tetrahydroisoquinoline derivatives and the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-08-31 US claimed
US-3951951-A Azetidinones BEECHAM GROUP LIMITED (EN) 1976-04-20 US claimed
US-3933783-A Formation of peptide bonds in the presence of isonitriles AJINOMOTO CO., INC. (JA) 1976-01-20 US claimed