SCHEMBL6040356

SCHEMBL6040356

S=C(S)NCC1CCC1

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
SCHEMBL502641 0.90
SCHEMBL7783075 0.73 CA12 (0.55)
SCHEMBL8391861 0.71 EPHX1 (0.47)
SCHEMBL8391864 0.71 TDP1 (0.48)
SCHEMBL4457284 0.71 EPHX1 (0.50)
SCHEMBL7021367 0.70 EPHX1 (0.63)
SCHEMBL1678387 0.70 ADH1B (0.55)
SCHEMBL11429650 0.70 EPHX1 (0.45)
SCHEMBL8394528 0.70 EPHX1 (0.50)
SCHEMBL5319986 0.70 EPHX1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 US disclosed
CN-115414480-A Dianhydrogalactitol in combination with radiation for treatment of non-small cell lung cancer and glioblastoma multiforme 德玛医药 2022-12-02 CN disclosed
CN-106659765-B Use of dianhydrogalactitol and analogs or derivatives thereof for treating non-small cell lung cancer and ovarian cancer 德玛医药 2021-08-13 CN disclosed
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 US disclosed
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS INC (CA) 2018-03-15 US disclosed
US-20160045502-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2016-02-18 US disclosed
US-7071158-B2 Antioxidant enhancement of therapy for hyperproliferative conditions ATHEROGENICS, INC. (US) 2006-07-04 US disclosed
US-20010049349-A1 Antioxidant enhancement of therapy for hyperproliferative conditions CRABTREE ACQUISITION CO, LLC 2001-12-06 US disclosed
EP-0433393-B1 TREATMENT OF DAMAGED BONE MARROW AND DOSAGE UNITS THEREFOR UNIV ROCHESTER (US) 1995-03-15 EP disclosed
EP-0433393-A4 TREATMENT OF DAMAGED BONE MARROW AND DOSAGE UNITS THEREFOR 1992-01-15 EP disclosed
US-5035878-A Reversing bone marrow damage resulting from chemotherapy UNIVERSITY OF ROCHESTER (US) 1991-07-30 US disclosed
EP-0433393-A1 TREATMENT OF DAMAGED BONE MARROW AND DOSAGE UNITS THEREFOR. UNIV ROCHESTER (US) 1991-06-26 EP disclosed
US-4938949-A Combatting side effects of anticancer drugs with dithiocarbamates UNIVERSITY OF NEW YORK (US) 1990-07-03 US disclosed
WO-1990002550-A1 TREATMENT OF DAMAGED BONE MARROW AND DOSAGE UNITS THEREFOR UNIVERSITY OF ROCHESTER (US) 1990-03-22 WO disclosed
US-4594238-A Administering platinum compound; then platimun binding compound REGENTS OF UNIVERSITY OF MINNESOTA (US) 1986-06-10 US disclosed
US-4581224-A ANTITUMOR, ANTRICARCINOGENIC AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1986-04-08 US disclosed