SCHEMBL5859547

SCHEMBL5859547

CC(C)C(C)OC(=O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
LDHA P00338 1/20 0.36
SRR Q9GZT4 1/20 0.36
TSHR P16473 3/20 0.33
ECE1 P42892 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 1/20 0.31
FAAH O00519 4/20 0.30
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30

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
SCHEMBL15437903 0.87 MGAM (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5860228 0.80 MME (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL242500 0.80 TSHR (0.47) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5349565 0.78 LDHA (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6429919 0.77 MMP1 (0.35) MMP1MMP2MMP3MMP9MMP13
SCHEMBL27477349 0.76 GABRP (0.39) MMP1MMP2MMP3MMP9MMP13
Benzene SCHEMBL28101101 0.76 TSHR (0.53) LDHASRRTSHRALDH1A1LMNA
SCHEMBL9065300 0.76 LDHA (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL11205973 0.76 CYP19A1 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL21273757 0.76 MMP1 (0.34) MMP1MMP2MMP3MMP9MMP13

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410277-B2 Block polyisocyanate composition, resin composition, resin film and layered body ASAHI KASEI KABUSHIKI KAISHA (JP) 2025-09-09 US disclosed
US-20240287243-A1 BLOCKED POLYISOCYANATE COMPOSITION, RESIN COMPOSITION, RESIN FILM AND LAMINATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-08-29 US disclosed
EP-4365252-A2 BLOCK POLYISOCYANATE COMPOSITION, RESIN COMPOSITION, RESIN FILM, AND LAYERED BODY Asahi Kasei Kabushiki Kaisha (JP) 2024-05-08 EP disclosed
EP-4364944-A1 BLOCK POLYISOCYANATE COMPOSITION, RESIN COMPOSITION, RESIN FILM, AND LAYERED BODY Asahi Kasei Kabushiki Kaisha (JP) 2024-05-08 EP disclosed
EP-3771720-B1 BLOCKED POLYISOCYANATE COMPOSITION, RESIN COMPOSITION, RESIN FILM AND LAMINATE ASAHI CHEMICAL IND (JP) 2024-05-01 EP disclosed
WO-2024063100-A1 METHOD FOR PRODUCING POLYVALENT CARBODIIMIDE B 旭化成株式会社 2024-03-28 WO disclosed
EP-4332137-A1 BASE COATING COMPOSITION, MULTILAYER COATING FILM LAMINATE, AND METHOD FOR FORMING MULTILAYER COATING FILM LAMINATE Asahi Kasei Kabushiki Kaisha (JP) 2024-03-06 EP disclosed
EP-3689936-B1 BLOCKED POLYISOCYANATE COMPOSITION AND USE THEREOF ASAHI CHEMICAL IND (JP) 2024-03-06 EP disclosed
EP-4321585-A2 BLOCKED POLYISOCYANATE COMPOSITION AND METHOD FOR PRODUCING THE SAME, RESIN COMPOSITION, RESIN FILM AND METHOD FOR PRODUCING THE SAME, AND LAMINATE Asahi Kasei Kabushiki Kaisha (JP) 2024-02-14 EP disclosed
EP-3783041-B1 BLOCKED POLYISOCYANATE COMPOSITION, HYDROPHILIC POLYISOCYANATE COMPOSITION, RESIN COMPOSITION, RESIN FILM AND LAMINATED BODY ASAHI CHEMICAL IND (JP) 2023-09-06 EP disclosed
US-20140031484-A1 BLOCK POLYISOCYANATE COMPOUND KANSAI PAINT CO., LTD. (JP) 2014-01-30 US disclosed
US-20140030528-A1 MULTILAYER COATING FILM-FORMING METHOD AND COATED KANSAI PAINT CO., LTD. (JP) 2014-01-30 US disclosed
CN-103492448-A Blocked polyisocyanate compound KANSAI PAINT CO LTD 2014-01-01 CN disclosed
CN-103459049-A Method for forming multiple layered coating film and coated object KANSAI PAINT CO LTD 2013-12-18 CN disclosed
CN-102655748-A Liquid suspension concentrate formulations containing saflufenacil BASF SE 2012-09-05 CN disclosed
CN-101072760-B Malonamide derivatives as gamma-secretase inhibitors for the treatment of Alzheimer's disease F. HOFFMANN-LA ROCHE AG (CH) 2011-12-28 CN disclosed
CN-102176821-A Liquid aqueous crop protection formulations BASF SE 2011-09-07 CN disclosed
CN-102176820-A Liquid crop protection formulations containing pyraclostrobin BASF SE 2011-09-07 CN disclosed
CN-101072760-A Malonamide derivatives as gamma-secretase inhibitors for the treatment of Alzheimer's disease HOFFMANN LA ROCHE (CH) 2007-11-14 CN disclosed
US-7060818-B2 Synthesis of macrocyclic tetraamido compounds and new metal insertion process CARNEGIE MELLON UNIVERSITY (US) 2006-06-13 US disclosed