SCHEMBL4026054

SCHEMBL4026054

COC(=O)c1[c]nn[nH]1

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
SCHEMBL5269786 0.76
SCHEMBL3396305 0.73
SCHEMBL3514462 0.71
SCHEMBL17979575 0.71 NPSR1 (0.38)
SCHEMBL4922580 0.61
SCHEMBL14562887 0.60
SCHEMBL1930167 0.58 KDM4C (0.53)
SCHEMBL4919464 0.58
SCHEMBL5346431 0.58
SCHEMBL9587880 0.58 KDM4C (0.44)

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1767528-B1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2014-09-17 EP disclosed
US-7488831-B2 Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-02-10 US disclosed
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-09 US disclosed
EP-1767528-A1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2007-03-28 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
EP-0710661-B1 Amino acid derivative having anti-CKK activity TOBISHI PHARMACEUTICAL CO (JP) 1999-03-31 EP disclosed
US-5716958-A GASTROINTESTINAL DISORDERS; INHIBITORY ACTIVITY ON CHOLECYSTOKININ TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1998-02-10 US disclosed
EP-0710661-A1 Amino acid derivative having anti-CKK activity TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1996-05-08 EP disclosed
US-5470867-A Imidazoles and their salts having antagonistic activity to angiotesin II recetors ROUSSEL-UCLAF (FR) 1995-11-28 US disclosed
US-5389634-A Treating arterial hypertension, relaxing uterus, prevention of post-angioplastic restenosis ROUSSEL-UCLAF (FR) 1995-02-14 US disclosed
US-5338756-A Angiotensin II receptor antagonists ROUSSEL UCLAF (FR) 1994-08-16 US disclosed