SCHEMBL497678

SCHEMBL497678

Cc1c[nH]c(C(=O)N(C)N=NN)n1

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
SCHEMBL1887631 0.73 NPC1 (0.41)
SCHEMBL20570053 0.72 TRPM8 (0.34)
SCHEMBL5151745 0.69 NPC1 (0.32)
SCHEMBL2854030 0.69 NOTUM (0.32)
Bromide SCHEMBL7429002 0.68 NPC1 (0.32)
SCHEMBL148063 0.68
SCHEMBL15063186 0.68 MAP4K1 (0.31)
Water SCHEMBL29953274 0.66 NOTUM (0.39)
Zinc Ion SCHEMBL14482007 0.65
SCHEMBL19603001 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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685762-B2 Aqueous suspension compositions, formulations, and water dispersible dry compositions comprising 16alpha-bromo-3beta-hydroxy-5alpha-androstan-17-ketone and hydrates, derivatives, and analogs thereof SD Chem, Inc. (US) 2023-06-27 US disclosed
US-11667665-B2 Aqueous suspension compositions, formulations, and water dispersible dry compositions comprising 16alpha-bromo-3beta-hydroxy-5alpha-androstan-17-ketone and hydrates, derivatives, and analogs thereof SD Chem, Inc. (US) 2023-06-06 US disclosed
EP-3920936-A1 AQUEOUS SUSPENSION COMPOSITIONS, FORMULATIONS, AND WATER DISPERSIBLE DRY COMPOSITIONS COMPRISING 16ALPHA-BROMO-3BETA-HYDROXY-5ALPHA-ANDROSTAN-17-KETONE AND HYDRATES, DERIVATIVES, AND ANALOGS THEREOF SD Chem, Inc. (US) 2021-12-15 EP disclosed
US-20210061847-A1 AQUEOUS SUSPENSION COMPOSITIONS, FORMULATIONS, AND WATER DISPERSIBLE DRY COMPOSITIONS COMPRISING 16ALPHA-BROMO-3BETA-HYDROXY-5ALPHA-ANDROSTAN-17-KETONE AND HYDRATES, DERIVATIVES, AND ANALOGS THEREOF SD Chem, Inc. 2021-03-04 US disclosed
US-20210061846-A1 AQUEOUS SUSPENSION COMPOSITIONS, FORMULATIONS, AND WATER DISPERSIBLE DRY COMPOSITIONS COMPRISING 16ALPHA-BROMO-3BETA-HYDROXY-5ALPHA-ANDROSTAN-17-KETONE AND HYDRATES, DERIVATIVES, AND ANALOGS THEREOF SD Chem, Inc. 2021-03-04 US disclosed
US-10836788-B2 Aqueous suspension compositions, formulations, and water dispersible dry compositions comprising 16alpha-bromo-3beta-hydroxy-5alpha-androstan-17-ketone and hydrates, derivatives, and analogs thereof SD Chem, Inc. (US) 2020-11-17 US disclosed
WO-2020163026-A1 AQUEOUS SUSPENSION COMPOSITIONS, FORMULATIONS, AND WATER DISPERSIBLE DRY COMPOSITIONS COMPRISING 16ALPHA-BROMO-3BETA-HYDROXY-5ALPHA-ANDROSTAN-17-KETONE AND HYDRATES, DERIVATIVES, AND ANALOGS THEREOF SD Chem, Inc. (US) 2020-08-13 WO disclosed
US-20200247838-A1 AQUEOUS SUSPENSION COMPOSITIONS, FORMULATIONS, AND WATER DISPERSIBLE DRY COMPOSITIONS COMPRISING 16ALPHA-BROMO-3BETA-HYDROXY-5ALPHA-ANDROSTAN-17-KETONE AND HYDRATES, DERIVATIVES, AND ANALOGS THEREOF SD Chem, Inc. 2020-08-06 US disclosed
US-8541600-B2 11-aza, 11-thia and 11-oxa sterol compounds and compositions Harbor Therapeutics, Inc. (US) 2013-09-24 US disclosed
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS BIOVIE INC. 2012-04-26 US disclosed
US-6548488-B2 Treatment of solid tumors, breast cancer AVENTIS PHARMA S.A. (FR) 2003-04-15 US disclosed
US-20030060425-A1 Immune modulation method using steroid compounds BIOVIE INC. 2003-03-27 US disclosed
WO-2003006029-A1 METHOD OF INDUCING APOPTOSIS IN CANCER CELLS THE UNIVERSITY OF SYDNEY (AU) 2003-01-23 WO disclosed
EP-1267873-A2 A COMPOSITION COMPRISING CAMPTOTHECIN OR A CAMPTOTHECIN DERIVATIVE AND AN ALKYLATING AGENT FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2003-01-02 EP disclosed
WO-2002069977-A1 USE OF CERTAIN STEROIDS FOR TREATMENT OF BLOOD CELL DEFICIENCIES HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2002-09-12 WO disclosed
US-20010056082-A1 Composition comprising camptothecin or a camptothecin derivative and an alkylating agent for the treatment of cancer PFIZER ENTERPRISES SARL (LU) 2001-12-27 US disclosed
WO-2001068066-A2 A COMPOSITION COMPRISING CAMPTOTHECIN OR A CAMPTOTHECIN DERIVATIVE AND AN ALKYLATING AGENT FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2001-09-20 WO disclosed
US-5840673-A Insulin-like growth factor binding protein 3 (IGF-BP3) in treatment of p53-related tumors BRISTOL-MYERS SQUIBB COMPANY (US) 1998-11-24 US disclosed
EP-0871475-A2 INSULIN-LIKE GROWTH FACTOR BINDING PROTEIN 3 (IGF-BP3) IN TREATMENT OF P53-RELATED TUMORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-21 EP disclosed
WO-1997009998-A2 INSULIN-LIKE GROWTH FACTOR BINDING PROTEIN 3 (IGF-BP3) IN TREATMENT OF P53-RELATED TUMORS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-20 WO disclosed