SCHEMBL4429218

SCHEMBL4429218

CCN=C=NC(C)CC(C)N

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
Hydrochloric Acid SCHEMBL5338641 0.98 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL287060 0.77
SCHEMBL1149909 0.74 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1
SCHEMBL28210729 0.73 TRPA1 (0.36)
Hydrochloric Acid SCHEMBL2515578 0.72 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL7115792 0.72 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL28210727 0.71 TRPA1 (0.34)
SCHEMBL7484113 0.71
SCHEMBL1443231 0.70
SCHEMBL939422 0.70 CYP1A2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597229-B1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK SERONO SA (CH) 2009-11-18 EP disclosed
EP-0213914-B1 CLAVAM DERIVATIVES, PREPARATION AND INTERMEDIATES THEREFOR BEECHAM GROUP PLC (GB) 1992-11-11 EP disclosed
US-5130241-A CLAVAM DERIVATIVES AND ITS ENZYMATIC PREPARATION BEECHAM GROUP PLC (GB) 1992-07-14 US disclosed
EP-0181172-B1 CEPHALOSPORIN ANTIBIOTICS GLAXO GROUP LIMITED (GB) 1992-03-18 EP disclosed
US-5043334-A Cephalosporin antibiotics GLAXO GROUP LIMITED (GB) 1991-08-27 US disclosed
US-4795809-A CLAVULANIC ACID INTERMEDIATE BEECHAM GROUP PLC (GB) 1989-01-03 US disclosed
EP-0280521-A2 Cephalosporin compounds, process for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1988-08-31 EP disclosed
EP-0266060-A2 Cephalosporins, process for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1988-05-04 EP disclosed
EP-0213914-A2 Clavam derivatives, preparation and intermediates therefor BEECHAM GROUP PLC (GB) 1987-03-11 EP disclosed
US-4621081-A Cephalosporin antibiotics GLAXO GROUP LIMITED (GB) 1986-11-04 US disclosed
US-4144393-A 3-Acetoxymethyl cephalosporins having at position-7 a carboxy substituted α-etherified hydroxyiminoarylacetamido group GLAXO LABORATORIES LIMITED (GB) 1979-03-13 US disclosed
US-4138555-A BACTERICIDES GLAXO LABORATORIES, LIMITED (GB) 1979-02-06 US disclosed
US-4103084-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (GB) 1978-07-25 US disclosed
US-4067979-A Cephalosporins having an α-acyloxyacetic acid side chain CIBA-GEIGY CORPORATION (US) 1978-01-10 US disclosed
US-4041161-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1977-08-09 US disclosed
US-4024249-A FOR COMBATTING MICROORGANISMS CIBA-GEIGY CORPORATION (US) 1977-05-17 US disclosed
US-4007174-A Cephalosporin compounds GLAXO LABORATORIES LIMITED (EN) 1977-02-08 US disclosed
US-3988467-A Aminoacyl compounds CIBA-GEIGY CORPORATION (US) 1976-10-26 US disclosed
US-3962232-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed
US-3936443-A Penicillin antibiotics GLAXO LABORATORIES LIMITED (EN) 1976-02-03 US disclosed