SCHEMBL2296137

SCHEMBL2296137

N#CCCCCC[O]

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
SCHEMBL11503357 1.00 TSHR (0.43)
SCHEMBL2299758 1.00
SCHEMBL2541504 1.00 TSHR (0.43)
SCHEMBL2537877 1.00 TSHR (0.43)
SCHEMBL15767254 1.00 TSHR (0.43)
SCHEMBL15767038 1.00 TSHR (0.43)
SCHEMBL366051 0.97
SCHEMBL246676 0.87
SCHEMBL1003333 0.83 ALDH1A1 (0.58)
SCHEMBL645518 0.83 ALDH1A1 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11320739-B2 Composition for resist underlayer film formation, resist underlayer film and method for producing patterned substrate JSR CORPORATION (JP) 2022-05-03 US claimed
US-20080071116-A1 Modulators of Lysophosphatidic Acid (Lpa) Signaling and the Use Thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-03-20 US claimed
EP-1589000-A2 (R)-Chiral halogenated 1-substitutedamino-(N+1)-alkanols useful for inhibiting cholesteryl ester transfer protein activity Monsanto Company (US) 2005-10-26 EP claimed
WO-2005082914-A2 MODULATORS OF LYSOPHOSPHATIDIC ACID (LPA) SIGNALING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-09-09 WO claimed
US-20030055274-A1 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein G.D. SEARLE & COMPANY 2003-03-20 US claimed
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
EP-0944644-B1 PROCESSES FOR PREPARATION OF 3-KETO-7alpha-ALKOXYCARBONYL-delta-4,5- STEROIDS AND INTERMEDIATES USEFUL THEREIN SEARLE & CO (US) 2002-10-02 EP claimed
EP-0944644-A2 PROCESSES FOR PREPARATION OF 9,11-EPOXY STEROIDS AND INTERMEDIATES USEFUL THEREIN G.D. Searle &amp; Co. (US) 1999-09-29 EP claimed
WO-1998025948-A9 PROCESSES FOR PREPARATION OF 9,11-EPOXY STEROIDS AND INTERMEDIATES USEFUL THEREIN 1998-11-19 WO claimed
WO-1998025948-A2 PROCESSES FOR PREPARATION OF 9,11-EPOXY STEROIDS AND INTERMEDIATES USEFUL THEREIN G.D. SEARLE & CO. (US) 1998-06-18 WO claimed
EP-4317160-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Kumiai Chemical Industry Co., Ltd. (JP) 2024-02-07 EP disclosed
CN-117098759-A Heterocyclic compounds and their use 组合化学工业株式会社 2023-11-21 CN disclosed
EP-3303305-B9 2-(PHENYLOXY OR PHENYLTHIO)PYRIMIDINE DERIVATIVES AS HERBICIDES FMC CORP (US) 2022-07-13 EP disclosed
US-20220177509-A1 PRODUCTION OF BRIDGED ARTIFICIAL NUCLEOSIDES NIPPON SHOKUBAI CO., LTD. (JP) 2022-06-09 US disclosed
US-11320739-B2 Composition for resist underlayer film formation, resist underlayer film and method for producing patterned substrate JSR CORPORATION (JP) 2022-05-03 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed