SCHEMBL9628038

SCHEMBL9628038

CC(=O)O[C@H](C)[C@H](Br)C(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6930533 0.79 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6930535 0.79 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11121400 0.77 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5718201 0.76
SCHEMBL26764604 0.75
SCHEMBL28825680 0.75
SCHEMBL26634370 0.75
SCHEMBL9720211 0.74 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10239103 0.74 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17751390 0.74 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238252-B1 PREPARATION OF AZETIDINONES AND INTERMEDIATES SCHERING CORPORATION (US) 1992-05-13 EP disclosed
US-5089609-A 4-benzoyl azetidinones SCHERING CORPORATION (US) 1992-02-18 US disclosed
US-5008404-A Preparation of azetidinones via novel protected intermediates SCHERING CORPORATION (US) 1991-04-16 US disclosed
US-4963670-A Preparation of azetidinones via novel protected intermediates SCHERING CORPORATION (US) 1990-10-16 US disclosed
US-4882429-A Stereospecific preparation of (3S,4R,5R)-3-(1-hydroxyethyl)-4-benzoyloxy-azeridinones from L-(-)-theonine SCHERING CORPORATION (US) 1989-11-21 US disclosed
US-4827006-A Preparation of azetidinones via novel protected intermediates SCHERING CORPORATION (US) 1989-05-02 US disclosed
US-4740595-A Preparation of azetidinones via N-protected oxirancecarboxamide intermediates SCHERING CORPORATION (US) 1988-04-26 US disclosed
EP-0238252-A2 Preparation of azetidinones and intermediates SCHERING CORPORATION (US) 1987-09-23 EP disclosed