SCHEMBL4690174

SCHEMBL4690174

[C]1=CC2=CCC=CN2C=C1

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
SCHEMBL6174797 0.67
SCHEMBL27831840 0.65
SCHEMBL2355100 0.63
SCHEMBL4552677 0.58
SCHEMBL7466011 0.52
SCHEMBL27790226 0.49 INMT (0.32)
SCHEMBL7436462 0.48 NPC1 (0.36)
SCHEMBL28737261 0.44
SCHEMBL23437060 0.41
SCHEMBL1533841 0.41 PPARA (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154941-B1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2021-01-20 EP claimed
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2019-02-07 US claimed
US-10077238-B2 Small molecule LFA-1 inhibitors ALLOCYTE PHARMACEUTICALS AG (CH) 2018-09-18 US claimed
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2017-05-04 US claimed
EP-3154941-A1 SMALL MOLECULE LFA-1 INHIBITORS AlloCyte Pharmaceuticals AG (CH) 2017-04-19 EP claimed
CN-106470973-A Small molecule lfa-1 inhibitors 阿罗赛特制药公司 2017-03-01 CN claimed
WO-2015189265-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2015-12-17 WO claimed
EP-1399155-B1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMA (US) 2008-05-28 EP claimed
EP-1399155-A4 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMA (US) 2004-12-15 EP claimed
EP-1399155-A2 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-03-24 EP claimed
EP-0966447-B1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMA (US) 2003-03-05 EP claimed
US-6414153-B1 TREATMENT OF INFLAMMATORY OR IMMUNE CELL-MEDIATED DISEASE OR CONDITION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-02 US claimed
US-6353013-B1 ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US claimed
WO-2001007048-A1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-01 WO claimed
WO-2001007052-A1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-01 WO claimed
WO-2001007044-A1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-01 WO claimed
WO-2001006984-A2 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-01 WO claimed
CN-1249748-A Small molecules useful in treatment of inflamatory disease BOEHRINGER INGELHELM PHARMACEU (US) 2000-04-05 CN claimed
EP-0966447-A1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1999-12-29 EP claimed
WO-1998039303-A1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-09-11 WO claimed