SCHEMBL2001107

SCHEMBL2001107

O=[C]Cn1cncn1

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
SCHEMBL21051910 0.77
SCHEMBL2658909 0.76
SCHEMBL7476337 0.74 EGLN3 (0.48)
SCHEMBL10911591 0.73
SCHEMBL4686079 0.72
SCHEMBL5657617 0.71 CYP19A1 (0.48)
SCHEMBL7470879 0.70 EGLN3 (0.37)
SCHEMBL20550616 0.70 EGLN3 (0.37)
SCHEMBL1696683 0.69 EGLN3 (0.39)
SCHEMBL1696686 0.69 EGLN3 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230347-B1 MACROLIDE COMPOUNDS, THEIR PREPARATION AND USE Sankyo Company Limited (JP) 1991-05-15 EP claimed
US-4912090-A Antiparasitic milbemycin and avermectin derivatives SANKYO COMPANY LIMITED (JP) 1990-03-27 US claimed
EP-0230347-A1 Macrolide compounds, their preparation and use Sankyo Company Limited (JP) 1987-07-29 EP claimed
EP-0061798-B1 NOVEL ANTIMICROBIAL TRIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1986-08-20 EP claimed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
EP-2763987-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE AS FUNGICIDALS BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
EP-3153497-A2 PESTICIDAL CARBOXAMIDES Bayer Cropscience AG (DE) 2017-04-12 EP disclosed
US-9023844-B2 Heterocyclylpyri (mi) dinylpyrazole as fungicidals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-05 US disclosed
US-20140256677-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
EP-0230347-B1 MACROLIDE COMPOUNDS, THEIR PREPARATION AND USE Sankyo Company Limited (JP) 1991-05-15 EP disclosed
US-4912090-A Antiparasitic milbemycin and avermectin derivatives SANKYO COMPANY LIMITED (JP) 1990-03-27 US disclosed
EP-0230347-A1 Macrolide compounds, their preparation and use Sankyo Company Limited (JP) 1987-07-29 EP disclosed