SCHEMBL9237381

SCHEMBL9237381

[CH2]C(CC)(CCCC)CCCC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.33
FDPS P14324 1/20 0.32
ALDH1A1 P00352 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 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
SCHEMBL1436543 0.94 TSHR (0.32) TSHRLMNATHRBFDPS
SCHEMBL60278 0.94 TSHR (0.35) TSHRLMNATHRBFDPSALDH1A1
SCHEMBL10535683 0.91 TSHR (0.39) TSHRLMNATHRBFDPS
SCHEMBL1694621 0.89
SCHEMBL22449292 0.88 TSHR (0.44) TSHRTHRBFDPS
SCHEMBL28775392 0.87 ALDH1A1 (0.39) TSHRLMNAFDPSALDH1A1
SCHEMBL5583300 0.87 TSHR (0.40) TSHRLMNATHRBFDPSALDH1A1
SCHEMBL7782742 0.86 LMNA (0.30) TSHRLMNA
SCHEMBL29065769 0.83 MEN1 (0.36) LMNA
SCHEMBL29064055 0.82 TSHR (0.44) TSHRTHRBFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874353-A Microbicidal derivatives 先正达农作物保护股份公司 2021-12-31 CN claimed
CN-113874353-A Microbicidal derivatives 先正达农作物保护股份公司 2021-12-31 CN disclosed
CN-110461157-B Herbicidal mixtures 拜耳公司 2021-11-02 CN disclosed
CN-113493542-A Conjugated diene polymer, method for producing same, conjugated diene polymer composition, and rubber composition 旭化成株式会社 2021-10-12 CN disclosed
CN-113493543-A Conjugated diene polymer, process for producing the same, and rubber composition 旭化成株式会社 2021-10-12 CN disclosed
CN-113372630-A Conjugated diene polymer composition and tire 旭化成株式会社 2021-09-10 CN disclosed
CN-112702913-A Controlled release formulations for agrochemicals 拜耳公司 2021-04-23 CN disclosed
CN-112384507-A Substituted 4-heteroaryloxypyridines and their salts and their use as herbicides 拜耳公司 2021-02-19 CN disclosed
CN-109071694-A Ultraviolet-curing resin composition, solidification envelope and laminated body 横滨橡胶株式会社 2018-12-21 CN disclosed
EP-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 EP disclosed
WO-1995006651-A1 HYDROLYTICALLY STABLE PENTAERYTHRITOL DIPHOSPHITES DOVER CHEMICAL CORPORATION (US) 1995-03-09 WO disclosed
US-5194621-A Lubricant additives for improved wear and oxidation resistance R. T. VANDERBILT COMPANY, INC. (US) 1993-03-16 US disclosed