SCHEMBL4396539

SCHEMBL4396539

CCC(O)C(C)C(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
SCHEMBL13222663 0.90 TSHR (0.44)
SCHEMBL16817197 0.86 TSHR (0.53)
SCHEMBL13210409 0.86 TSHR (0.53)
SCHEMBL13176705 0.86 TSHR (0.53)
SCHEMBL4831130 0.86 TSHR (0.53)
SCHEMBL13210319 0.86 TSHR (0.53)
SCHEMBL18759568 0.81 TSHR (0.42)
SCHEMBL2230756 0.80
SCHEMBL777512 0.79
SCHEMBL777265 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3539942-B1 METHOD FOR PRODUCING MENTHONES FROM ISOPULEGOL IN THE GAS PHASE BASF SE (DE) 2023-09-13 EP disclosed
US-20220098468-A1 USE OF ESTERAMINE TO INHIBIT THE AGGLOMERATION OF GAS HYDRATES ARKEMA FRANCE (FR) 2022-03-31 US disclosed
EP-3921384-A1 USE OF ESTERAMINE FOR PREVENTING THE AGGLOMERATION OF GAS HYDRATES ARKEMA FRANCE (FR) 2021-12-15 EP disclosed
WO-2020161408-A1 USE OF ESTERAMINE FOR PREVENTING THE AGGLOMERATION OF GAS HYDRATES ARKEMA FRANCE (FR) 2020-08-13 WO disclosed
WO-2020161407-A1 COMPOSITION FOR PREVENTING AGGLOMERATION OF GAS HYDRATES ARKEMA FRANCE (FR) 2020-08-13 WO disclosed
EP-3539942-A1 METHOD FOR PRODUCING MENTHONES FROM ISOPULEGOL IN THE GAS PHASE BASF SE (DE) 2019-09-18 EP disclosed
EP-3114104-B1 METHOD FOR THE PREPARATION OF MENTHONES FROM ISOPULEGOL IN THE GAS PHASE BASF SE (DE) 2019-07-17 EP disclosed
US-9856199-B2 Method for producing menthones from isopulegol in the gas phase BASF SE (DE) 2018-01-02 US disclosed
US-20170066705-A1 METHOD FOR PRODUCING MENTHONES FROM ISOPULEGOL IN THE GAS PHASE BASF SE (DE) 2017-03-09 US disclosed
EP-3114104-A1 METHOD FOR PRODUCING MENTHONES FROM ISOPULEGOL IN THE GAS PHASE BASF SE (DE) 2017-01-11 EP disclosed
US-6881797-B2 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2005-04-19 US disclosed
EP-1180765-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS INC (JP) 2005-04-06 EP disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 EP disclosed
EP-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 EP disclosed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 US disclosed
US-6627288-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS, INC. (JP) 2003-09-30 US disclosed
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2003-05-15 US disclosed
EP-1245571-A1 BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-10-02 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed