SCHEMBL3728133

SCHEMBL3728133

O=C1C=CC2(CCOCC2)CC1

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
SCHEMBL9140299 0.84
SCHEMBL11956609 0.81 ALOX5 (0.30)
SCHEMBL13333805 0.80 ALDH1A1 (0.36)
SCHEMBL516008 0.80 ALDH1A1 (0.36)
SCHEMBL515788 0.78 ALDH1A1 (0.34)
SCHEMBL1373549 0.78 ALDH1A1 (0.34)
SCHEMBL9449773 0.78 ALDH1A1 (0.34)
SCHEMBL17277743 0.75 NEK2 (0.31)
SCHEMBL4409815 0.74 ALDH1A1 (0.34)
SCHEMBL12087982 0.72 HTR2A (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250114374-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2025-04-10 US disclosed
WO-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed
EP-3551634-B1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP disclosed
EP-3551634-B1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP disclosed
US-10793580-B2 Substituted pyrazoloazepin-8-ones and their use as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2020-10-06 US disclosed
US-10793580-B2 Substituted pyrazoloazepin-8-ones and their use as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2020-10-06 US disclosed
US-20190330223-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION therapeutics A/S (DK) 2019-10-31 US disclosed
US-20190330223-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS UNION therapeutics A/S (DK) 2019-10-31 US disclosed
EP-3551634-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 EP disclosed
WO-2018108231-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO disclosed
US-8765763-B2 Substituted piperazines as CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-20120196872-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20120196872-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20120196872-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
WO-2010139717-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 WO disclosed
WO-2010139717-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 WO disclosed
US-7439263-B2 Pyrrolidine and thiazolidine compounds LES LABORATOIRES SERVIER (FR) 2008-10-21 US disclosed
EP-1598350-B1 Pyrrolidines and thiazolidines derivatives, their preparation and their use in the treatment of hyperglycaemia and of type II Diabetis SERVIER LAB (FR) 2007-07-11 EP disclosed
US-20050261501-A1 Pyrrolidine and thiazolidine compounds LES LABORATOIRES SERVIER (FR) 2005-11-24 US disclosed
EP-1598350-A1 Pyrrolidines and thiazolidines derivatives, their preparation and their use in the treatment of hyperglycaemia and of type II Diabetis LES LABORATOIRES SERVIER (FR) 2005-11-23 EP disclosed