SCHEMBL1662048

SCHEMBL1662048

O=[C]Cc1ccnnc1

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
SCHEMBL1661201 0.78 LOXL2 (0.48)
SCHEMBL3675587 0.77
SCHEMBL9661135 0.77 LOXL2 (0.47)
SCHEMBL8183843 0.74 LOXL2 (0.48)
SCHEMBL17039198 0.74 LOXL2 (0.48)
SCHEMBL8134472 0.73
SCHEMBL123259 0.73
SCHEMBL17039130 0.72 LOXL2 (0.47)
SCHEMBL27941190 0.71 LOXL2 (0.56)
SCHEMBL272334 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 US claimed
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 EP claimed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO claimed
US-10697019-B2 Method of diagnosis and prognosis IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-06-30 US disclosed
US-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2017-08-24 US disclosed
EP-3180350-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY Imperial Innovations Ltd (GB) 2017-06-21 EP disclosed
EP-3178836-A1 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2017-06-14 EP disclosed
EP-2702167-B1 METHODS OF DIAGNOSIS AND PROGNOSIS OF MULTIPLE MYELOMA, BY MEASURING GADD45BETA EXPRESSION IMP INNOVATIONS LTD (GB) 2016-12-28 EP disclosed
US-9518083-B2 Gadd45beta targeting agents IMPERIAL INNOVATIONS LIMITED (GB) 2016-12-13 US disclosed
WO-2016024131-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL INNOVATIONS LIMITED (GB) 2016-02-18 WO disclosed
US-20150368294-A1 GADD45BETA TARGETING AGENTS IP2IPO INNOVATIONS LIMITED (GB) 2015-12-24 US disclosed
US-5013854-A Process for preparing acid halides ELI LILLY AND COMPANY (US) 1991-05-07 US disclosed
EP-0381451-A1 A process for preparing acid halides ELI LILLY AND COMPANY (US) 1990-08-08 EP disclosed
US-4937331-A Chemical intermediates for antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1990-06-26 US disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4885291-A 1-carba(dethia)-3-cephem derivatives ELI LILLY AND COMPANY (US) 1989-12-05 US disclosed
EP-0334593-A1 Chiral azetidinone epoxides THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-09-27 EP disclosed
EP-0324562-A1 1-Carba(dethia)-3-cephem derivatives ELI LILLY AND COMPANY (US) 1989-07-19 EP disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed