SCHEMBL1782596

SCHEMBL1782596

CCCC(O)C(C)C=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL5499873 1.00
Propionaldehyde SCHEMBL17184318 0.93 TDP1 (0.39)
SCHEMBL1782747 0.87 TSHR (0.39)
Butanal SCHEMBL17181570 0.86 ALDH1A1 (0.44)
SCHEMBL11179784 0.86 TSHR (0.46)
SCHEMBL1783784 0.86 TSHR (0.46)
SCHEMBL13554566 0.84 LMNA (0.35)
SCHEMBL1786274 0.84 SPHK1 (0.52)
SCHEMBL1781890 0.84 TSHR (0.41)
SCHEMBL1781451 0.82 SPHK1 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754700-A2 Synthesis of oligoketides Kosan Biosciences, Inc. (US) 2007-02-21 EP claimed
US-20030096374-A1 Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer ASHLEY GARY (US) 2003-05-22 US claimed
US-20030092140-A1 Novel polyketides and antibiotics ASHLEY GARY (US) 2003-05-15 US claimed
JP-2002535387-A 2002-10-22 JP claimed
EP-1144375-A2 SYNTHESIS OF OLIGOKETIDES Kosan Biosciences (US) 2001-10-17 EP claimed
WO-2000044717-A9 SYNTHESIS OF OLIGOKETIDES 2001-08-23 WO claimed
WO-2000044717-A2 SYNTHESIS OF OLIGOKETIDES KOSAN BIOSCIENCES, INC. (US) 2000-08-03 WO claimed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
EP-0274075-B1 POLYVINYL ACETAL, LIGHT-SENSITIVE COMPOSITION CONTAINING IT AND REPRODUCTION MATERIAL MADE THEREFROM HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-26 EP disclosed
US-4940646-A Polyvinyl acetal with hydroxy aliphatic acetal groups useful in photosensitive negative working compositions HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-10 US disclosed
EP-0274075-A2 Polyvinyl acetal, light-sensitive composition containing it and reproduction material made therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-13 EP disclosed
EP-0043462-B1 ALKOXYALKYL-AMINOTRIAZINE-TRANSETHERIFYING PRODUCTS AND THEIR USE BASF Aktiengesellschaft (DE) 1985-05-08 EP disclosed
EP-0075822-B1 PROCESS FOR THE PREPARATION OF AMINOPLAST RESINS AND THEIR USE BASF Aktiengesellschaft (DE) 1985-04-24 EP disclosed
US-4393207-A BAKING FINISHES, ACID-HARDENING COATINGS BASF AKTIENGESELLSCHAFT (DE) 1983-07-12 US disclosed
US-4387212-A AMINOTRIAZINE, HYDROXYALDEHYDE BASF AKTIENGESELLSCHAFT (DE) 1983-06-07 US disclosed
EP-0075822-A1 Process for the preparation of aminoplast resins and their use BASF Aktiengesellschaft (DE) 1983-04-06 EP disclosed
EP-0043462-A2 Alkoxyalkyl-aminotriazine-transetherifying products and their use BASF Aktiengesellschaft (DE) 1982-01-13 EP disclosed