SCHEMBL16952983

SCHEMBL16952983

[c]1ccc(C2CC2)c(C2CC2)c1

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
SCHEMBL9667555 1.00
SCHEMBL17134324 0.91
SCHEMBL23071366 0.91 CEL (0.33)
SCHEMBL9667177 0.91 CHRNB4 (0.32)
SCHEMBL5092432 0.89 CEL (0.35)
SCHEMBL23071353 0.89 CEL (0.35)
SCHEMBL23071387 0.89 CEL (0.35)
SCHEMBL458052 0.81 HTR2C (0.39)
SCHEMBL456075 0.79 TP53 (0.33)
SCHEMBL443526 0.79 TP53 (0.33)

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220396574-A1 LIGHT-EMITTING DEVICE, DISPLAY DEVICE, ELECTRONIC DEVICE, ORGANIC COMPOUND, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2022-12-15 US disclosed
WO-2021044262-A1 LIGHT-EMITTING DEVICE, DISPLAY DEVICE, ELECTRONIC APPLIANCE, ORGANIC COMPOUND, AND ILLUMINATOR 株式会社半導体エネルギー研究所 2021-03-11 WO disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 EP disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
CN-104822666-B Terazololine-one compound and application thereof 住友化学株式会社 2016-09-21 CN disclosed
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
EP-2927218-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-07 EP disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-104822666-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2015-08-05 CN disclosed