SCHEMBL9824548

SCHEMBL9824548

CC1(C)CC(N=C=O)CCC1CC1CCC(N=C=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL18154644 0.77 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL6318341 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL5902920 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL22543 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL10507329 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL23743495 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL7192102 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL8733246 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL5903114 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL1136172 0.76 ALDH1A1 (0.38) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4321350-A Process for the catalytic setting of polyurethane molding compositions GAMBRO DIALYSATOREN KG (DE) 1982-03-23 US claimed
US-5031539-A Radiation curable rocket motor liner for case bonded solid propellant THIOKOL CORPORATION (US) 1991-07-16 US disclosed
EP-0025272-B1 ISOCYANATO-TERMINATED POLYSULFIDE POLYMERS AND PROCESSES FOR THEIR PREPARATION THIOKOL CORPORATION (US) 1984-04-11 EP disclosed
US-4429634-A HYDROXY-TERMINATED POLYBUTADIENE BASED POLYURETHANE THIOKOL CORPORATION (US) 1984-02-07 US disclosed
US-4376193-A SEALANTS THIOKOL CORPORATION (US) 1983-03-08 US disclosed
US-4321350-A Process for the catalytic setting of polyurethane molding compositions GAMBRO DIALYSATOREN KG (DE) 1982-03-23 US disclosed
EP-0025272-A1 Isocyanato-terminated polysulfide polymers and processes for their preparation THIOKOL CORPORATION (US) 1981-03-18 EP disclosed
US-4238585-A Aryl amine terminated polysulfide polymers, related compounds and processes for their preparation THIOKOL CORPORATION (US) 1980-12-09 US disclosed
US-4200762-A POLYETHYLENE ADIPATE ENCAPPED WITH TOLUENE DIISOCYANATE MODIFIED WITH BENZOIN THIOKOL CORPORATION (US) 1980-04-29 US disclosed
US-4182848-A POLYTHIOL AND POLYENE THIOKOL CORPORATION (US) 1980-01-08 US disclosed
US-4157421-A POLYTHIOETHERS THIOKOL CORPORATION (US) 1979-06-05 US disclosed
US-4136092-A SUBSTITUTED DI- OR TRIAMINO-S-TRIAZINES THIOKOL CORPORATION (US) 1979-01-23 US disclosed
US-4131499-A BINDER OF HYDROXY OR CARBOXY CONTAINING PERFLUOROCARBON POLYMERS THIOKOL CORPORATION (US) 1978-12-26 US disclosed
US-4072712-A FROM ISOCYANATES, CATALYSIS BAYER AKTIENGESELLSCHAFT (DT) 1978-02-07 US disclosed