SCHEMBL6928330

SCHEMBL6928330

CCC(C)(C(O)O)[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL9509889 0.81 LMNA (0.41) ALDH1A1KDM4ELMNA
SCHEMBL19621802 0.73 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL10484249 0.70 LMNA (0.39) ALDH1A1KDM4ELMNA
SCHEMBL10484259 0.70 LMNA (0.39) ALDH1A1KDM4ELMNA
SCHEMBL10648011 0.70 LMNA (0.39) ALDH1A1KDM4ELMNA
SCHEMBL1700913 0.69 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ELMNA
SCHEMBL28160824 0.69
SCHEMBL3273563 0.69
SCHEMBL9497771 0.68 ALDH1A1 (0.47) ALDH1A1TSHRLMNA
SCHEMBL9452595 0.68 TSHR (0.44) ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110452366-B Poly (2-ethyl-2-nitropropanediol adipate), preparation method and application thereof 西安近代化学研究所 2021-10-01 CN claimed
CN-107346095-B Semiconductor process positive photoresist degumming liquid and application 江阴江化微电子材料股份有限公司 2020-12-22 CN claimed
EP-0830326-A4 HYDRAULIC CEMENT SET ACCELERATORS BASED ON NITROALCOHOLS GRACE W R & CO (US) 2003-03-26 EP claimed
EP-0830326-A1 HYDRAULIC CEMENT SET ACCELERATORS BASED ON NITROALCOHOLS W.R. Grace & Co.-Conn. (US) 1998-03-25 EP claimed
WO-1996040597-A1 HYDRAULIC CEMENT SET ACCELERATORS BASED ON NITROALCOHOLS W.R. GRACE & CO.-CONN. (US) 1996-12-19 WO claimed
US-5531825-A LOW TEMPERATURE W. R. GRACE & CO.-CONN. (US) 1996-07-02 US claimed
US-4416734-A Separation of nitroalkanol by azeotropic distillation ANGUS CHEMICAL COMPANY (US) 1983-11-22 US claimed
CN-110452366-B Poly (2-ethyl-2-nitropropanediol adipate), preparation method and application thereof 西安近代化学研究所 2021-10-01 CN disclosed
CN-110452366-B Poly (2-ethyl-2-nitropropanediol adipate), preparation method and application thereof 西安近代化学研究所 2021-10-01 CN disclosed
CN-107346095-B Semiconductor process positive photoresist degumming liquid and application 江阴江化微电子材料股份有限公司 2020-12-22 CN disclosed
EP-0830326-A4 HYDRAULIC CEMENT SET ACCELERATORS BASED ON NITROALCOHOLS GRACE W R & CO (US) 2003-03-26 EP disclosed
EP-0830326-A1 HYDRAULIC CEMENT SET ACCELERATORS BASED ON NITROALCOHOLS W.R. Grace & Co.-Conn. (US) 1998-03-25 EP disclosed
WO-1996040597-A1 HYDRAULIC CEMENT SET ACCELERATORS BASED ON NITROALCOHOLS W.R. GRACE & CO.-CONN. (US) 1996-12-19 WO disclosed
US-5531825-A LOW TEMPERATURE W. R. GRACE & CO.-CONN. (US) 1996-07-02 US disclosed
US-4416734-A Separation of nitroalkanol by azeotropic distillation ANGUS CHEMICAL COMPANY (US) 1983-11-22 US disclosed
EP-0006745-B1 NITRO-CONTAINING ESTERS OF A SUBSTITUTED PHENYLPROPIONIC ACID, COMPOSITIONS CONTAINING THEM AS STABILIZING AGENT AGAINST OXIDATIVE DEGRADATION, AND STABILIZER COMPOSITIONS UNIROYAL, INC. (US) 1982-11-10 EP disclosed
EP-0006745-A1 Nitro-containing esters of a substituted phenylpropionic acid, compositions containing them as stabilizing agent against oxidative degradation, and stabilizer compositions UNIROYAL, INC. (US) 1980-01-09 EP disclosed
US-4153597-A STABILIZERS UNIROYAL, INC. (US) 1979-05-08 US disclosed