SCHEMBL1074008

SCHEMBL1074008

C=CCC1CCCC1O

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
SCHEMBL1259162 1.00
SCHEMBL178594 1.00
SCHEMBL23670831 1.00
SCHEMBL2895289 1.00
SCHEMBL733245 0.95 CA1 (0.46)
SCHEMBL23671027 0.95 CA1 (0.46)
SCHEMBL733247 0.95 CA1 (0.46)
SCHEMBL23670184 0.95 CA1 (0.46)
SCHEMBL733246 0.95 CA1 (0.46)
SCHEMBL12976066 0.93 CA1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813596-A Macrocyclic HCV NS3 inhibits tripeptide synthesis 吉利德科学公司 2023-09-29 CN disclosed
CN-111320610-B Macrocyclic HCV NS3 inhibits tripeptide synthesis 吉利德科学公司 2023-06-06 CN disclosed
CN-111320610-A Macrocyclic HCV NS3 inhibits the synthesis of tripeptides 吉利德制药有限责任公司 2020-06-23 CN disclosed
CN-105849118-B Macrocyclic HCV NS3 inhibits the synthesis of tripeptides 吉利德制药有限责任公司 2020-03-31 CN disclosed
EP-3087085-B1 SYNTHESIS OF A MACROCYCLIC HCV NS3 INHIBITING TRIPEPTIDE GILEAD SCIENCES INC (US) 2019-02-20 EP disclosed
EP-3087086-B1 CRYSTALLINE FORMS OF A MACROCYCLIC HCV NS3 INHIBITING TRIPEPTIDE GILEAD SCIENCES INC (US) 2018-11-07 EP disclosed
US-10030033-B2 Synthesis of an antiviral compound GILEAD SCIENCES, INC. (US) 2018-07-24 US disclosed
US-9862728-B2 Crystalline forms of an antiviral compound GILEAD SCIENCES, INC. (US) 2018-01-09 US disclosed
US-20170267694-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND GILEAD PHARMASSET LLC 2017-09-21 US disclosed
US-20170210756-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. 2017-07-27 US disclosed
US-20150175625-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. (US) 2015-06-25 US disclosed
US-8461107-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-8461107-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-20110046161-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-24 US disclosed
US-20110046161-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-24 US disclosed
EP-2271345-A1 HCV NS3 PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2011-01-12 EP disclosed
WO-2009134624-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-11-05 WO disclosed
WO-2009134624-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-11-05 WO disclosed
WO-2000013690-A1 EXOCYCLIC-PHOSPHOETHANOLAMINES CLARION PHARMACEUTICALS, INC. (US) 2000-03-16 WO disclosed
US-5804569-A ANTIINFLAMMATORY, ANTIARRHYMIC AND LOCAL ANESTHETIC AGENT CLARION PHARMACEUTICALS INC. (US) 1998-09-08 US disclosed