SCHEMBL2164382

SCHEMBL2164382

CCC=C(C)[C]=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
SCHEMBL2164380 1.00
SCHEMBL4443779 0.79
SCHEMBL6525170 0.79 KMT2A (0.32)
SCHEMBL2164467 0.78
SCHEMBL2164463 0.78
SCHEMBL3058730 0.77
SCHEMBL16322043 0.77
SCHEMBL7626448 0.74
SCHEMBL7626452 0.74
SCHEMBL4366679 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631562-B Novel compounds and uses thereof 长濑产业株式会社 2024-04-19 CN claimed
US-20220177507-A1 NOVEL COMPOUND AND USE OF SAME NAGASE & CO., LTD. (JP) 2022-06-09 US claimed
EP-3950697-A1 NOVEL COMPOUND AND USE OF SAME Nagase & Co., Ltd. (JP) 2022-02-09 EP claimed
CN-113631562-A Novel compounds and their use 长濑产业株式会社 2021-11-09 CN claimed
WO-2020202790-A1 NOVEL COMPOUND AND USE OF SAME 長瀬産業株式会社 2020-10-08 WO claimed
CN-113631562-B Novel compounds and uses thereof 长濑产业株式会社 2024-04-19 CN disclosed
CN-113631562-B Novel compounds and uses thereof 长濑产业株式会社 2024-04-19 CN disclosed
US-20220177507-A1 NOVEL COMPOUND AND USE OF SAME NAGASE & CO., LTD. (JP) 2022-06-09 US disclosed
US-20220177507-A1 NOVEL COMPOUND AND USE OF SAME NAGASE & CO., LTD. (JP) 2022-06-09 US disclosed
EP-3950697-A1 NOVEL COMPOUND AND USE OF SAME Nagase & Co., Ltd. (JP) 2022-02-09 EP disclosed
EP-3950697-A1 NOVEL COMPOUND AND USE OF SAME Nagase & Co., Ltd. (JP) 2022-02-09 EP disclosed
CN-113631562-A Novel compounds and their use 长濑产业株式会社 2021-11-09 CN disclosed
US-6153396-A DRUG SCREENING BY ADDING COMPOUND TO MIXTURE OF CHAPERONE AND PILUS SUBUNIT AND DETERMINING THE CHANGE IN BINDING; BACTERICIDES FOR URINARY TRACT INFECTIONS SIGA PHARMACEUTICALS, INC. (US) 2000-11-28 US disclosed
WO-2000028330-A1 METHOD FOR SELECTING CATALYTIC ANTIBODIES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed
WO-2000023577-A1 METHOD FOR PRODUCING CHIRAL CARBOXYLIC ACIDS FROM NITRILES WITH THE ASSISTANCE OF A NITRILASE OR MICROORGANISMS WHICH CONTAIN A GENE FOR THE NITRILASE BASF AKTIENGESELLSCHAFT (DE) 2000-04-27 WO disclosed
US-6001823-A NOVEL PYRANOSIDES WHICH ARE BELIEVED TO BE CAPABLE OF INTERACTING WITH PERIPLASMIC MOLECULAR CHAPERONES WASHINGTON UNIVERSITY 1999-12-14 US disclosed
EP-0914319-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1999-05-12 EP disclosed
WO-1997044329-A9 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS 1998-03-12 WO disclosed
WO-1997044329-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1997-11-27 WO disclosed
WO-1995014028-A9 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS 1995-08-10 WO disclosed