SCHEMBL5613293

SCHEMBL5613293

CC(C)(O)C#CCO

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
Bicarbonate SCHEMBL28960934 0.89 ALDH1A1 (0.35)
SCHEMBL28960933 0.82 HMGCR (0.30)
SCHEMBL179519 0.78
SCHEMBL10903244 0.77 ALDH1A1 (0.33)
SCHEMBL17938546 0.77
SCHEMBL252969 0.75
SCHEMBL24582825 0.73
SCHEMBL5996892 0.73
SCHEMBL468111 0.73
SCHEMBL6427665 0.73 ALDH1A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683610-B RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业股份有限公司 2025-02-25 CN disclosed
CN-113683611-B Novel RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业股份有限公司 2025-02-11 CN disclosed
US-11970443-B2 Crosslinking agent compound and superabsorbent polymer prepared by using the same LG CHEM, LTD. (KR) 2024-04-30 US disclosed
EP-3725762-B1 NOVEL CROSSLINKER COMPOUND AND SUPERABSORBENT POLYMER PREPARED USING SAME LG CHEMICAL LTD (KR) 2024-02-28 EP disclosed
CN-111670176-B Novel crosslinker compounds and superabsorbent polymers prepared by using the same 株式会社LG化学 2023-03-14 CN disclosed
US-11578175-B2 Preparation method of super absorbent polymer LG CHEM, LTD. 2023-02-14 US disclosed
US-11560463-B2 Cross-linking agent compound and polymer prepared using the same LG CHEM, LTD. 2023-01-24 US disclosed
CN-113683610-A RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业有限公司 2021-11-23 CN disclosed
CN-113683611-A RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业有限公司 2021-11-23 CN disclosed
CN-111433267-B Novel crosslinker compounds and polymers prepared using the same 株式会社LG化学 2021-10-26 CN disclosed
CN-102471658-A Aqueous adhesive composition, method for producing same, and adhesive film LG HAUSYS LTD 2012-05-23 CN disclosed
US-20070092544-A1 Natural insect repellant INT'L ALLY, INC. 2007-04-26 US disclosed
EP-0708755-B1 NOVEL VITAMIN D ANALOGUES LEO PHARM PROD LTD (DK) 1998-04-22 EP disclosed
US-5716945-A ANTIINFLAMMATORY AGENTS; IMMUNOSTIMULATION; CELL DIFFERENTIATION; ANTIGROWTH AGENTS Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-02-10 US disclosed
US-4707232-A PROTECTIVE COATINGS BASF FARBEN & FASERN AG (DE) 1987-11-17 US disclosed
US-4661541-A Alcohol-modified polyepoxides, their preparation and their use in curable mixtures BASF FARBEN & FASERN AG (DE) 1987-04-28 US disclosed
US-4218548-A Peroxy compounds and vulcanizable compositions thereof PENNWALT CORPORATION (US) 1980-08-19 US disclosed
US-4180518-A CROSSLINKING OR VULCANIZING AGENTS PENNWALT CORPORATION (US) 1979-12-25 US disclosed
US-4177204-A AGENTS FOR CROSSLINKING OR VULCANIZING POLYMERS PENNWALT CORPORATION (US) 1979-12-04 US disclosed
US-4129700-A Peroxy compounds and vulcanizable compositions thereof PENNWALT CORPORATION (US) 1978-12-12 US disclosed