SCHEMBL2955397

SCHEMBL2955397

COC(=O)C#CC(C)C

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
SCHEMBL18133563 0.82
SCHEMBL14448562 0.80
SCHEMBL13536163 0.80 CA12 (0.30)
SCHEMBL28518125 0.78 SMN1; SMN2 (0.38)
SCHEMBL25706 0.76 ALDH1A1 (0.44)
SCHEMBL27437478 0.75 CA14 (0.35)
SCHEMBL3113011 0.75
SCHEMBL29053807 0.73 KDM6B (0.31)
SCHEMBL497771 0.73 ALDH1A1 (0.40)
SCHEMBL2946735 0.72 TSHR (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256468-B1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2020-04-08 EP disclosed
CN-105884758-B Tricyclic compounds and their use in medicine 广东东阳光药业有限公司 2019-12-10 CN disclosed
EP-2935292-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-04-10 EP disclosed
US-10183917-B2 Tricyclic compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-01-22 US disclosed
US-20180030003-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-01 US disclosed
EP-3256468-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE Sunshine Lake Pharma Co., Ltd. (CN) 2017-12-20 EP disclosed
WO-2016127924-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-18 WO disclosed
US-20150333280-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
WO-2014094961-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
US-5472979-A Antithrombotics ADIR ET COMPAGNIE (FR) 1995-12-05 US disclosed
EP-0303446-B1 Pyrroloisoquinolines MAY & BAKER LTD (GB) 1994-05-25 EP disclosed
US-4933350-A Pyrroloisoquinolines useful as hypercholesterolemic and hyperlipoprotienimic agents MAY & BAKER LIMITED (GB) 1990-06-12 US disclosed
EP-0303446-A1 Pyrroloisoquinolines MAY & BAKER LIMITED (GB) 1989-02-15 EP disclosed