SCHEMBL9934565

SCHEMBL9934565

[CH2]c1cc([N+](=O)[O-])[nH]n1

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
SCHEMBL162091 0.76 HPGD (0.41)
SCHEMBL10002534 0.74
SCHEMBL2544544 0.74
SCHEMBL16645510 0.74
SCHEMBL4255025 0.74
Ethane SCHEMBL28967597 0.72 HPGD (0.39)
Hydrochloric Acid SCHEMBL4256464 0.72 LMNA (0.46)
SCHEMBL17928435 0.72 HPGD (0.49)
SCHEMBL12644335 0.71 HPGD (0.38)
SCHEMBL16879068 0.71 HPGD (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 EP claimed
CN-103380115-B Sulfur derivatives as chemokine receptor modulators 阿勒根公司 2016-08-24 CN claimed
EP-3050873-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-08-03 EP claimed
EP-2651893-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-03-30 EP claimed
CN-103380115-A Sulfur derivatives as chemokine receptor modulators ALLERGAN INC 2013-10-30 CN claimed
US-8450367-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-05-28 US claimed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US claimed
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 EP disclosed
US-9663460-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-05-30 US disclosed
US-20170050925-A9 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2017-02-23 US disclosed
CN-106220618-A SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS 阿勒根公司 2016-12-14 CN disclosed
CN-103380115-B Sulfur derivatives as chemokine receptor modulators 阿勒根公司 2016-08-24 CN disclosed
EP-3050873-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-08-03 EP disclosed
US-8877804-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2014-11-04 US disclosed
US-8791161-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2014-07-29 US disclosed
CN-103380115-A Sulfur derivatives as chemokine receptor modulators ALLERGAN INC 2013-10-30 CN disclosed
US-20130237552-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-20130165460-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-27 US disclosed
US-8450367-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-05-28 US disclosed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US disclosed