SCHEMBL20787299

SCHEMBL20787299

[CH2]C1(C)Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
TSHR P16473 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL8707641 0.77 HTR1A (0.40) HTR2ATSHRHTR1ADRD2HTR2C
SCHEMBL4644536 0.72 HTR2A (0.37) HTR2A
SCHEMBL9418962 0.72 HTR2A (0.37) HTR2ATSHR
SCHEMBL865619 0.72 HTR2A (0.41) HTR2A
Methane SCHEMBL29046923 0.70 HTR2A (0.35) HTR2A
Hydrochloric Acid SCHEMBL1786173 0.70 KDM1A (0.41) HTR2A
Methyl Alcohol SCHEMBL28424110 0.70 HTR2A (0.35) HTR2A
SCHEMBL27498922 0.70 HTR2A (0.35) HTR2A
SCHEMBL20787241 0.69 TRPA1 (0.36) DRD2
SCHEMBL196204 0.69 SIGMAR1 (0.44) TSHRDRD2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116807912-A Use of volatile components to limit or eliminate perception of malodor 弗门尼舍有限公司 2023-09-29 CN claimed
EP-3245185-B1 INTERMEDIATE COMPOUNDS FOR PRODUCING PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2019-03-13 EP claimed
CN-116807912-A Use of volatile components to limit or eliminate perception of malodor 弗门尼舍有限公司 2023-09-29 CN disclosed
CN-111432851-B Use of volatile components to limit or eliminate perception of malodor 弗门尼舍有限公司 2023-06-23 CN disclosed