SCHEMBL91326

SCHEMBL91326

CC(=O)NCC(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
Hydrochloric Acid SCHEMBL30777456 0.97
SCHEMBL16771519 0.83 CYP2D6 (0.50)
SCHEMBL10062233 0.82 MTNR1A (0.44)
SCHEMBL983886 0.80
SCHEMBL3606867 0.80
SCHEMBL24447196 0.80 MTNR1A (0.42)
SCHEMBL10311755 0.80
SCHEMBL10311744 0.80
SCHEMBL20440215 0.79 ALDH1A1 (0.43)
SCHEMBL1275889 0.79 CYP2D6 (0.65)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603264-A Preparation method of octyl (phenyl) -N, N-diisobutylcarbamoyl methyl phosphine oxide 浙江扬帆新材料股份有限公司 2024-02-27 CN claimed
CN-107567445-A It can be used as 2 phenyl 3H imidazos [4,5 B] pyridine derivates of mammal EGFR-TK ROR1 activities inhibitor 坎塞拉有限公司 2018-01-09 CN claimed
WO-2017012963-A1 POLYMERIZABLE FATTY ACID-DERIVATIVE-MONOMERS WITH TERMINAL OLEFINIC DOUBLE BONDS, POLYMERS CONTAINING SAME MONOMERS, PRODUCTION AND USE THEREOF BASF SE (DE) 2017-01-26 WO claimed
WO-2016124553-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2016-08-11 WO claimed
WO-2015079251-A1 QUINAZOLINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-06-04 WO claimed
CN-101421359-B Dye-sensitized photoelectric conversion device NIPPON KAYAKU KK 2013-06-26 CN claimed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US claimed
WO-2013007768-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO claimed
US-8324257-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-04 US claimed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP claimed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US claimed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO claimed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US claimed
EP-0238357-B1 1,2,4-TRIAZINONE DERIVATIVES, THEIR PREPARATION AND USE Sankyo Company Limited (JP) 1991-05-29 EP claimed
US-4854973-A SHORT CHAIN CHLORINATED SOLVENTS NCH CORPORATION (US) 1989-08-08 US claimed
US-20260114475-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME MARS, INCORPORATED (US) 2026-04-30 US disclosed
EP-4622953-A1 PREPARATION OF 4-CYANOBENZOYL CHLORIDES FROM ALKALI METAL 4-CARBAMOYL-BENZOATES BASF SE (DE) 2025-10-01 EP disclosed
US-4283486-A DISCOLORATION INHIBITION FUJI PHOTO FILM CO., LTD. (JP) 1981-08-11 US disclosed
US-4105763-A 1-Methyl-2-(phenyl-oxymethyl)-5-nitro-imidazoles HOECHST AKTIENGESELLSCHAFT (DE) 1978-08-08 US disclosed
US-4078086-A Anthraquinone-bis-amidines and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1978-03-07 US disclosed