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