SCHEMBL3839643

SCHEMBL3839643

C=C(CCC)C(=C)C(=C)C(=C)C(=C)C(=C)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HDAC3 O15379 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
FFAR3 O14843 3/20 0.35
CTSD P07339 1/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL3738395 0.87 CES1 (0.41) TDP1CES2CES1TSHRALDH1A1
SCHEMBL123158 0.85 CES2 (0.43) TDP1CES2CES1TSHRALDH1A1
SCHEMBL27727796 0.84 CES2 (0.45) TDP1CES2CES1TSHRALDH1A1
SCHEMBL3984615 0.84 CES2 (0.45) TDP1CES2CES1TSHRALDH1A1
SCHEMBL1407233 0.84 CES2 (0.45) TDP1CES2CES1TSHRALDH1A1
SCHEMBL5027330 0.84 CES2 (0.45) TDP1CES2CES1TSHRALDH1A1
SCHEMBL5029026 0.84 CES2 (0.45) TDP1CES2CES1TSHRALDH1A1
SCHEMBL3840148 0.81 TDP1 (0.39) TDP1FFAR3ALDH1A1
SCHEMBL28662143 0.81 TDP1 (0.39) TDP1FFAR3ALDH1A1
SCHEMBL5038259 0.81 CES2 (0.46) TDP1CES2CES1TSHRALDH1A1

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
WO-2022202535-A1 POLYAMIDE RESIN COMPOSITION AND FIBER COMPRISING SAME 東レ株式会社 2022-09-29 WO disclosed
EP-3775046-A1 ADDITIVE MANUFACTURING COMPOSITIONS DUPONT POLYMERS, INC. (US) 2021-02-17 EP disclosed
US-20210024747-A1 ADDITIVE MANUFACTURING COMPOSITIONS CELANESE POLYMERS HOLDING, INC. 2021-01-28 US disclosed
WO-2019195694-A1 ADDITIVE MANUFACTURING COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2019-10-10 WO disclosed
WO-2019195689-A1 ADDITIVE MANUFACTURING COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2019-10-10 WO disclosed
EP-1903074-B1 RESIN COMPOSITION ZEON CORP (JP) 2009-10-14 EP disclosed
EP-1903074-A1 RESIN COMPOSITION ZEON CORPORATION (JP) 2008-03-26 EP disclosed
US-6890991-B2 Thermoplastic resin composition MITSUBISHI RAYON CO., LTD. (JP) 2005-05-10 US disclosed
US-20030088026-A1 Thermoplastic resin composition MITSUBISHI CHEMICAL CORPORATION (JP) 2003-05-08 US disclosed
EP-1277805-A1 THERMOPLASTIC RESIN COMPOSITION Mitsubishi Rayon Co., Ltd. (JP) 2003-01-22 EP disclosed
US-5538771-A LAMINATED SUPPORT FILM HAVER CENTER LAYER OF BUTYLENE-ETHYLENE -STYRENE BLOCK COPOLYMER, ETHYLENE COPOLYMER AND POLYAMIDE ETHER COPOLYMER FURUKAWA ELECTRIC CO., LTD. (JP) 1996-07-23 US disclosed
US-5534333-A Spiral fabric SHAKESPEARE (US) 1996-07-09 US disclosed
US-4610925-A NYLON OR POLYESTER CORE, POLYMERIC SHEATH CONTAINING CARBON E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-09-09 US disclosed
EP-0160320-A2 Antistatic hairbrush filament E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-06 EP disclosed