SCHEMBL272420

SCHEMBL272420

CCC(O)[N+](CC)(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 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
Hydrochloric Acid SCHEMBL11584438 0.97 TSHR (0.37) TSHR
Bromide SCHEMBL7214856 0.97 TSHR (0.37) TSHR
Water SCHEMBL319988 0.97 TSHR (0.37) TSHR
Hydrochloric Acid SCHEMBL27408053 0.94 TSHR (0.35) TSHR
SCHEMBL9003640 0.89 TSHR (0.38) TSHR
Acetic Acid SCHEMBL320011 0.87 CA1 (0.40) TSHR
SCHEMBL8023577 0.78 TDP1 (0.37) TSHR
SCHEMBL27840696 0.77
SCHEMBL11706248 0.76 TSHR (0.41) TSHR
SCHEMBL15611974 0.75 TSHR (0.42) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116239755-B Polyisocyanate composition with high reactivity and preparation method thereof 万华化学集团股份有限公司 2025-05-13 CN claimed
US-20250082561-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2025-03-13 US claimed
CN-119591835-A Dual-curing type polyisocyanate composition and preparation method and application thereof 万华化学集团股份有限公司 2025-03-11 CN claimed
CN-118290697-A Hydrogenated xylylene diisocyanate composition and preparation method thereof 万华化学集团股份有限公司 2024-07-05 CN claimed
CN-118146486-A Polyisocyanate composition containing isocyanurate structure with low color number, and preparation method and application thereof 万华化学集团股份有限公司 2024-06-07 CN claimed
EP-4370561-A1 IMPROVEMENTS IN OR RELATED TO ORGANIC COMPOUNDS Givaudan SA (CH) 2024-05-22 EP claimed
CN-117693533-A Improvements in or relating to organic compounds 奇华顿股份有限公司 2024-03-12 CN claimed
CN-117209700-A Modified polyisocyanate composition, preparation method thereof and varnish 万华化学集团股份有限公司 2023-12-12 CN claimed
CN-116239755-A Polyisocyanate composition with high reactivity and preparation method thereof 万华化学集团股份有限公司 2023-06-09 CN claimed
CN-116041665-A Preparation method of isocyanate curing agent with high trimer content 南京工业大学 2023-05-02 CN claimed
CN-114057991-B Fast-curing polyisocyanate composition and preparation method and application thereof 万华化学集团股份有限公司 2023-03-03 CN claimed
WO-2023285663-A1 IMPROVEMENTS IN OR RELATED TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2023-01-19 WO claimed
CN-114057991-A Fast-curing polyisocyanate composition and preparation method and application thereof 万华化学集团股份有限公司 2022-02-18 CN claimed
EP-4190832-B1 POLYISOCYANATE COMPOSITION, COATING COMPOSITION AND COATED SUBSTRATE ASAHI CHEMICAL IND (JP) 2026-04-08 EP disclosed
US-20260092138-A1 BLOCKED POLYISOCYANATE COMPOSITION, CURABLE RESIN COMPOSITION COMPRISING THE COMPOSITION, AND CURED PRODUCT KOEI CHEMICAL COMPANY, LIMITED (JP) 2026-04-02 US disclosed
EP-4008757-B1 BLOCKED POLYISOCYANATE COMPOSITION, ONE-COMPONENT COATING COMPOSITION, COATING FILM AND COATED ARTICLE ASAHI CHEMICAL IND (JP) 2026-03-18 EP disclosed
US-5124429-A Polyurethane coatings and adhesives; discoloration inhibition; weatherproofing; heat resistance; vehicles MITSUI TOATSU CHEMICALS, INC. (JP) 1992-06-23 US disclosed
US-5091496-A POLYISOCYANATOALKYLPHENYL-ISOCYANURATES, METHOD FOR THE PREPARATION THEREOF AND USE THEREOF MITSUI TOATSU CHEMICALS, INC. (JP) 1992-02-25 US disclosed
EP-0398749-A2 Polyisocyanatoalkylphenyl-isocyanurates, method for the preparation thereof and use thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-11-22 EP disclosed
US-4801663-A SUPERIOR COATINGS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-01-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250082561-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS CD44, CA4, HPSE TSHR 4607/4885
US-20260092138-A1 BLOCKED POLYISOCYANATE COMPOSITION, CURABLE RESIN COMPOSITION COMPRISING THE COMPOSITION, AND CURED PRODUCT RER1, RPP30, REV1 TSHR 3522/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.