SCHEMBL8534651

SCHEMBL8534651

CC(CC#N)CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
CYP1A2 P05177 2/20 0.46
MAPT P10636 2/20 0.39
TET2 Q6N021 3/20 0.38
KDM4A O75164 2/20 0.38

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
SCHEMBL10804306 0.83 ALDH1A1 (0.38) LMNATSHR
SCHEMBL9252722 0.78 MAPT (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9263397 0.78 MAPT (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4919499 0.78 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16882726 0.77
SCHEMBL4850157 0.77
Hydrochloric Acid SCHEMBL16667716 0.76 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14360308 0.76 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25989121 0.75 L3MBTL1 (0.44) CYP1A2LMNATSHR
Water SCHEMBL14109989 0.75 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116376357-A Stable printing material 科迪华公司 2023-07-04 CN disclosed
CN-113423789-B Stabilized printing material 科迪华公司 2023-04-07 CN disclosed
CN-113423789-A Stabilized printing material 科迪华公司 2021-09-21 CN disclosed
EP-0730574-B1 PROCESSES AND CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS DU PONT (US) 1998-08-19 EP disclosed
US-5723641-A PHOSPHITE CATALYSTS FOR HYDROCYANATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-03 US disclosed
US-5688986-A CATALYTIC HYDROCYANATION OF NONCONJUGATED ACYCLIC ALIPHATIC MONOOLEFIN, MONOOLEFIN CONJUGATED TO ESTER OR MONOOLEFIN CONJUGATED TO CYANIDE IN THE PRESENCE OF NICKEL PHOSPHITE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-18 US disclosed
EP-0730574-A1 PROCESSES AND CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-11 EP disclosed
WO-1995014659-A1 PROCESSES AND CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-06-01 WO disclosed