SCHEMBL9628080

SCHEMBL9628080

CCCCCC(N)(CCC)CCCCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.44
SMPD1 P17405 4/20 0.43
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.39
DNM1 Q05193 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.36
GGPS1 O95749 2/20 0.36
TNNC1 P63316 2/20 0.35
SGPL1 O95470 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
GPR183 P32249 1/20 0.35
CERS2 Q96G23 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL516233 1.00 FDPS (0.44) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL5870102 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL10889107 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL11032005 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL4894090 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL23795740 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL14840254 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL14840626 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL4891569 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL6056342 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210345691-A1 SMART CLOTH MICROJET TECHNOLOGY CO., LTD. (TW) 2021-11-11 US disclosed
EP-0271272-B1 PROCESS FOR PREPARATION OF PERFLUORO ORGANIC COMPOUNDS TOKUYAMA CORPORATION (JP) 1992-04-15 EP disclosed
US-4983747-A Fluorination with metal fluoride and fluorine gas TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1991-01-08 US disclosed
US-4929317-A HYDROGEN FLUORIDE, FLUORINE GAS, DEHYDROGENATION TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1990-05-29 US disclosed
EP-0271272-A2 Process for preparation of perfluoro organic compounds TOKUYAMA CORPORATION (JP) 1988-06-15 EP disclosed
US-3960762-A Production of absorbents BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 US disclosed