SCHEMBL5147841

SCHEMBL5147841

NCC(Cl)CCCCl

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
Hydrochloric Acid SCHEMBL2968465 0.97
SCHEMBL5476009 0.94
SCHEMBL28732089 0.92 ALDH1A1 (0.33)
SCHEMBL28634280 0.92 ALDH1A1 (0.33)
SCHEMBL16136743 0.84
Nitrous Acid SCHEMBL3781144 0.82
SCHEMBL17188610 0.81
SCHEMBL14625380 0.77
SCHEMBL23817266 0.75 ALDH1A1 (0.42)
SCHEMBL15227661 0.75 ALDH1A1 (0.30)

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231139-B1 DIHYDROBENZOFURANE AND CHROMANE CARBOXAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS NEUROLEPTICS Laboratoires DELAGRANGE (FR) 1991-12-04 EP claimed
EP-0190524-B1 Industrial synthesis of N-[(1'-allyl-2'-pyrrolidinyl)methyl]-2-methoxy-4,5-azimido benzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1991-03-06 EP claimed
EP-0309406-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1989-03-29 EP claimed
EP-0190524-A1 Industrial synthesis of N-[(1'-allyl-2'-pyrrolidinyl)methyl]-2-methoxy-4,5-azimido benzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1986-08-13 EP claimed
US-20180170861-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USED THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-21 US disclosed
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-21 US disclosed
US-9493436-B2 Tyrosine phosphatase inhibitors and uses thereof to modulate the activity of enzymes involved in the pathology of Mycobacterium tuberculosis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-11-15 US disclosed
US-9493436-B2 Tyrosine phosphatase inhibitors and uses thereof to modulate the activity of enzymes involved in the pathology of Mycobacterium tuberculosis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-11-15 US disclosed
US-20140179735-A1 TYROSINE PHOSPHATASE INHIBITORS AND USES THEREOF TO MODULATE THE ACTIVITY OF ENZYMESp INVOLVED IN THE PATHOLOGY OF MYCOBACTERIUM TUBERCULOSIS INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2014-06-26 US disclosed
US-20070072096-A1 Negative curable dye-containing composition, color filter, and method of manufacturing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed
EP-0231139-B1 DIHYDROBENZOFURANE AND CHROMANE CARBOXAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS NEUROLEPTICS Laboratoires DELAGRANGE (FR) 1991-12-04 EP disclosed
EP-0190524-B1 Industrial synthesis of N-[(1'-allyl-2'-pyrrolidinyl)methyl]-2-methoxy-4,5-azimido benzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1991-03-06 EP disclosed
US-4816471-A NERVOUS SYSTEM DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILLE-DE FRANCE (FR) 1989-03-28 US disclosed
US-4804765-A Process for synthesizing N-[(1'-allyl-2'pyrrolidinyl) methyl]2-methoxy-4,5-azimidobenzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-D-FRANCE (FR) 1989-02-14 US disclosed
EP-0231139-A2 Dihydrobenzofurane and chromane carboxamide derivatives, processes for their preparation and their use as neuroleptics Laboratoires DELAGRANGE (FR) 1987-08-05 EP disclosed
EP-0190524-A1 Industrial synthesis of N-[(1'-allyl-2'-pyrrolidinyl)methyl]-2-methoxy-4,5-azimido benzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1986-08-13 EP disclosed
US-4335045-A Preparation of N-alkenyl-2-aminomethyl-pyrrolidines SACHIM S.A. (CH) 1982-06-15 US disclosed