SCHEMBL5162779

SCHEMBL5162779

CC(SSc1ccccn1)c1ccc(C(=O)NC(O)C(O)C(O)C(O)C(O)C(=O)ON2C(=O)CC(S(=O)(=O)O)C2=O)cc1

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
SCHEMBL17161322 0.83 RGS12 (0.31)
SCHEMBL8077101 0.81 TAS1R3 (0.32)
SCHEMBL5958158 0.81 HDAC1 (0.33)
SCHEMBL321300 0.79 SMN1; SMN2 (0.35)
SCHEMBL16491630 0.75 HDAC6 (0.35)
SCHEMBL7572269 0.74 HTR1A (0.36)
SCHEMBL2169209 0.73 LMNA (0.31)
SCHEMBL29427561 0.73 LMNA (0.31)
SCHEMBL15489464 0.72 NPC1 (0.36)
SCHEMBL900949 0.72 SMN1; SMN2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942996-B8 THROMBOLYTIC AGENTS WITH ANTITHROMBOTIC ACTIVITY UNIV SOUTHERN CALIFORNIA (US) 2007-02-21 EP claimed
EP-0942996-A1 THROMBOLYTIC AGENTS WITH ANTITHROMBOTIC ACTIVITY Diatide, Inc. (US) 1999-09-22 EP claimed
WO-1998024917-A1 THROMBOLYTIC AGENTS WITH ANTITHROMBOTIC ACTIVITY DIATIDE, INC. (US) 1998-06-11 WO claimed
US-5951981-A A CROSSLINKED THROMBOLYTIC PROTEINASE, E.G. FIBROLASE FROM AGKISTRODOON CONTORTRIX CONFORTRIX VENOM, AND A BINDING PEPTIDE THAT BINDS AT THE SITE OF BLOOD CLOTS AND THROMBI; SIDE EFFECTS REDUCTION DIATIDE, INC. (US) 1999-09-14 US disclosed