SCHEMBL42462

SCHEMBL42462

[NH]Cc1ccncc1

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
SCHEMBL317695 0.77
SCHEMBL4991113 0.75 NOS1 (0.32)
SCHEMBL721736 0.73 CYP17A1 (0.61)
SCHEMBL151822 0.73 LOXL2 (0.68)
SCHEMBL5495225 0.73 CYP3A4 (0.55)
SCHEMBL29259554 0.73 CYP3A4 (1.00)
SCHEMBL9150145 0.73 CYP3A4 (0.70)
SCHEMBL6284157 0.73 HRH1 (0.56)
Water SCHEMBL31124597 0.71 LOXL2 (0.65)
Water SCHEMBL31124596 0.71 LOXL2 (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 676 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 US claimed
EP-4313943-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-02-07 EP claimed
CN-117043140-A Substituted pyrrolidin-2-ones, salts thereof and their use as herbicidal active substances 拜耳公司 2023-11-10 CN claimed
WO-2022200208-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2022-09-29 WO claimed
EP-3154941-B1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2021-01-20 EP claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2019-02-07 US claimed
US-10077238-B2 Small molecule LFA-1 inhibitors ALLOCYTE PHARMACEUTICALS AG (CH) 2018-09-18 US claimed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP claimed
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2017-05-04 US claimed
EP-0582789-A1 Novel 7-(substituted)-8-(substituted)-9- (substituted glycyl)amido -6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1994-02-16 EP claimed
EP-0582788-A1 7-(Substituted)-9- (substituted glycyl)-amido)-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1994-02-16 EP claimed
CN-1034732-A Polyketone derivatives SHELL INT RESEARCH (NL) 1989-08-16 CN claimed
EP-0324998-A2 Polymeric polyketone derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-07-26 EP claimed
US-4818748-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 US claimed
EP-0236874-A2 Renin inhibitors, their production and use, as well as derivatives of amino acids and amino aldehydes BAYER AG (DE) 1987-09-16 EP claimed
EP-0210291-A1 Platinum complexes of antitumor agents AMERICAN CYANAMID COMPANY (US) 1987-02-04 EP claimed
EP-0189254-A1 Dihydropyridine anti-ischaemic and antihypertensive agents Pfizer Limited (GB) 1986-07-30 EP claimed
US-4258181-A BACTERICIDES, AMTITUMOR AGENTS, ANTICARCINOGENIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-03-24 US claimed
US-4235996-A BACTERICIDES, ANTITUMOR, ANTICANCER AMERICAN CYANAMID COMPANY (US) 1980-11-25 US claimed