SCHEMBL618804

SCHEMBL618804

CC[CH]COCC

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
SCHEMBL11620532 0.86
SCHEMBL605471 0.86
SCHEMBL616137 0.85 ALDH1A1 (0.39)
SCHEMBL4859573 0.75
SCHEMBL10964652 0.75
SCHEMBL2116784 0.75
SCHEMBL7509652 0.75
SCHEMBL5909505 0.75
SCHEMBL1987431 0.75
SCHEMBL1251550 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210277200-A1 MALONATES AND DERIVATIVES FOR IN-SITU FILMS ZEPHYROS, INC. 2021-09-09 US claimed
US-11015034-B2 Malonates and derivatives for in-situ films ZEPHYROS, INC. (US) 2021-05-25 US claimed
US-20190169396-A1 MALONATES AND DERIVATIVES FOR IN-SITU FILMS ZEPHYROS, INC. 2019-06-06 US claimed
WO-2017184986-A1 MALONATES AND DERIVATIVES FOR IN-SITU FILMS ZEPHYROS, INC. (US) 2017-10-26 WO claimed
EP-2205086-B1 FUNGICIDAL HETEROCYCLIC AMINES DU PONT (US) 2013-08-14 EP claimed
US-20110301123-A1 Fungicidal Heterocyclic Amines E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-08 US claimed
US-8026359-B2 Fungicidal heterocyclic amines E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-09-27 US claimed
US-20100267729-A1 FUNGICIDAL HETEROCYCLIC AMINES E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2010-10-21 US claimed
EP-2205086-A2 FUNGICIDAL HETEROCYCLIC AMINES E. I. du Pont de Nemours and Company (US) 2010-07-14 EP claimed
WO-2009061761-A2 FUNGICIDAL HETEROCYCLIC AMINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-14 WO claimed
US-20210277200-A1 MALONATES AND DERIVATIVES FOR IN-SITU FILMS ZEPHYROS, INC. 2021-09-09 US disclosed
EP-3874027-A2 METHODS FOR HEMATOPOIETIC STEM AND PROGENITOR CELL TRANSPLANT THERAPY Magenta Therapeutics, Inc. (US) 2021-09-08 EP disclosed
US-11015034-B2 Malonates and derivatives for in-situ films ZEPHYROS, INC. (US) 2021-05-25 US disclosed
US-20190169396-A1 MALONATES AND DERIVATIVES FOR IN-SITU FILMS ZEPHYROS, INC. 2019-06-06 US disclosed
WO-2017184986-A1 MALONATES AND DERIVATIVES FOR IN-SITU FILMS ZEPHYROS, INC. (US) 2017-10-26 WO disclosed
US-4820685-A COLOR LAYER OF QUINOLINE DYES AND BINDERS, ON FILM BASE MITSUBISHI KASEI CORPORATION (JP) 1989-04-11 US disclosed
US-4398913-A ALKALINE PASTES CASSELLA AKTIENGESELLSCHAFT (DE) 1983-08-16 US disclosed
US-4320137-A Derivatives of perhydro-aza-heterocycles CIBA-GEIGY CORPORATION (US) 1982-03-16 US disclosed
US-4246269-A Antidepressant piperidinones CIBA-GEIGY CORPORATION (US) 1981-01-20 US disclosed
US-4160837-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1979-07-10 US disclosed