SCHEMBL1153665

SCHEMBL1153665

C[C@@H](N)C(C)(C)O

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
SCHEMBL316571 1.00
SCHEMBL1371659 1.00
Water SCHEMBL27638113 0.96
Hydrochloric Acid SCHEMBL1369701 0.96
Water SCHEMBL490793 0.96
Fluoride SCHEMBL11792079 0.96
Hydrochloric Acid SCHEMBL1369896 0.96
Hydrochloric Acid SCHEMBL1369704 0.96
Bicarbonate SCHEMBL8040728 0.87 ALDH1A1 (0.42)
SCHEMBL322175 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP claimed
EP-1628968-B1 4-IMIDAZOLIN-2-ONE COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2011-04-06 EP claimed
US-20090069355-A1 Bicyclic pyrazolone cytokine inhibitors CLARK MICHAEL PHILIP 2009-03-12 US claimed
US-7449474-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-11-11 US claimed
EP-1747204-B1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS PROCTER & GAMBLE (US) 2008-07-30 EP claimed
JP-2007510739-A 2007-04-26 JP claimed
EP-1747204-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS The Procter and Gamble Company (US) 2007-01-31 EP claimed
EP-1682551-A2 BICYCLIC PYRAZOLONE CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2006-07-26 EP claimed
WO-2005105758-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-11-10 WO claimed
US-20050239811-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 US claimed
WO-2005047287-A2 BICYCLIC PYRAZOLONE CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 WO claimed
US-20050113392-A1 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 US claimed
CN-122010947-A Antagonists of adenosine A2a receptors 阿道尔克斯治疗有限公司 2026-05-12 CN disclosed
US-12617796-B2 Antagonists of the adenosine A2a receptor JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 US disclosed
US-20050113392-A1 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 US disclosed
US-6410741-B1 INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US disclosed