SCHEMBL1001135

SCHEMBL1001135

C1CCSS[N]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
SCHEMBL3546851 0.97
SCHEMBL3545357 0.97
SCHEMBL3550713 0.97
SCHEMBL3539343 0.80
SCHEMBL2506863 0.65
SCHEMBL3544488 0.65
SCHEMBL2509865 0.65
SCHEMBL3544171 0.65
SCHEMBL285502 0.65
SCHEMBL420563 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US claimed
US-20090312335-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2009-12-17 US claimed
US-7619086-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-11-17 US claimed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP claimed
EP-1725102-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-04-29 EP claimed
EP-1496836-B1 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-09-24 EP claimed
EP-1942736-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2008-07-16 EP claimed
US-7323460-B2 N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-01-29 US claimed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US claimed
WO-2007050510-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed
WO-2005092099-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-10-06 WO claimed
US-20050176955-A1 N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-08-11 US claimed
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors ANTHONY NEVILLE J (US) 2005-08-11 US claimed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 US claimed
EP-1496836-A2 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2003077857-A2 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-09-25 WO claimed
WO-2003077850-A2 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-09-25 WO claimed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP claimed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US claimed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO claimed