SCHEMBL10129807

SCHEMBL10129807

C[S+]([O-])c1ccc[nH]1

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
SCHEMBL10698910 0.79 DAO (0.32)
SCHEMBL17471234 0.75
SCHEMBL20993356 0.75 HDAC8 (0.31)
Hydrochloric Acid SCHEMBL30556225 0.70 DAO (0.33)
SCHEMBL7778310 0.68 GAA (0.31)
SCHEMBL21723091 0.59
SCHEMBL20993530 0.59
SCHEMBL2006150 0.58 DAO (0.32)
SCHEMBL2973140 0.58
SCHEMBL47202 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1028475-C Pyrrole insecticides RHONE POULENC AGROCHIMIE (FR) 1995-05-24 CN claimed
CN-1043500-A PYRROLE INSECTICIDES RHONE POULENC AGROCHIMIE (FR) 1990-07-04 CN claimed
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 US disclosed
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2019-05-09 US disclosed
CN-105358555-B Condensed heterocyclic compound and pest control use thereof 住友化学株式会社 2018-01-30 CN disclosed
WO-2017101890-A1 SPIROKETAL DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION 上海艾力斯医药科技有限公司 2017-06-22 WO disclosed
CN-105246876-B Condensed heterocyclic compound and pest control use thereof 住友化学株式会社 2017-06-16 CN disclosed
CN-103717598-B Fused heterocyclic compound and the purposes for Pest control thereof 住友化学株式会社 2016-12-07 CN disclosed
CN-104507911-B Amide compound 住友化学株式会社 2016-11-16 CN disclosed
CN-104334552-B Fused heterocyclic compound 住友化学株式会社 2016-08-31 CN disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
CN-1028475-C Pyrrole insecticides RHONE POULENC AGROCHIMIE (FR) 1995-05-24 CN disclosed
CN-1043500-A PYRROLE INSECTICIDES RHONE POULENC AGROCHIMIE (FR) 1990-07-04 CN disclosed
EP-0372982-A2 Pyrrole insecticides RHONE-POULENC AGROCHIMIE (FR) 1990-06-13 EP disclosed