SCHEMBL7095968

SCHEMBL7095968

C=CC(C)(O)CCC

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
SCHEMBL12837120 1.00
SCHEMBL27529971 0.85 ALOX15 (0.61)
SCHEMBL13384409 0.84
SCHEMBL28857285 0.84
SCHEMBL5872621 0.82 ALDH1A1 (0.37)
SCHEMBL5872620 0.82 ALDH1A1 (0.37)
SCHEMBL294887 0.82 ALOX15 (0.52)
SCHEMBL4591909 0.80 ALOX15 (0.50)
SCHEMBL9306274 0.80 ALOX15 (0.50)
SCHEMBL4428879 0.80 ALOX15 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2904080-B1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS BV (NL) 2018-12-12 EP claimed
US-12351688-B2 Hydrophilized polydiorganosiloxane vinylic crosslinkers ALCON INC. (CH) 2025-07-08 US disclosed
US-12297323-B2 Polysiloxane vinylic crosslinkers with high refractive index ALCON INC. (CH) 2025-05-13 US disclosed
EP-4314118-B1 POLYSILOXANE VINYLIC CROSSLINKERS WITH HIGH REFRACTIVE INDEX ALCON INC (CH) 2025-04-30 EP disclosed
US-11945895-B2 Photochromic polydiorganosiloxane vinylic crosslinkers ALCON INC. (CH) 2024-04-02 US disclosed
CN-115605529-B Photochromic polydiorganosiloxane vinyl cross-linking agent 爱尔康公司 2024-03-26 CN disclosed
EP-4118134-B1 PHOTOCHROMIC POLYDIORGANOSILOXANE VINYLIC CROSSLINKERS ALCON INC (CH) 2024-02-28 EP disclosed
EP-4314118-A1 POLYSILOXANE VINYLIC CROSSLINKERS WITH HIGH REFRACTIVE INDEX Alcon Inc. (CH) 2024-02-07 EP disclosed
EP-4291601-A1 HYDROPHILIZED POLYDIORGANOSILOXANE VINYLIC CROSSLINKERS Alcon Inc. (CH) 2023-12-20 EP disclosed
CN-116888193-A Polysiloxane vinyl cross-linking agent with high refractive index 爱尔康公司 2023-10-13 CN disclosed
EP-0847988-A1 Process for the preparation of N-hydrocarbyl-substituted amides The Lubrizol Corporation (US) 1998-06-17 EP disclosed
EP-0846678-A1 Process for the preparation of N-hydrocarbyl-substituted amides The Lubrizol Corporation (US) 1998-06-10 EP disclosed
US-5728857-A POLYMERIZATION CATALYSTS FOR PRODUCING POLYVINYL CHLORIDE HAVING A HIGH QUALITY IN A HIGH YIELD AND IN A SHORT TIME SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-03-17 US disclosed
US-5712413-A Process for the preparation of N-hydrocarbyl-substituted amides such as tert-butylacrylamide via the Ritter reaction using solid heteropolyacid catalysts THE LUBRIZOL CORPORATION (US) 1998-01-27 US disclosed
US-5157087-A Organic peroxides and their use in the preparation of epoxide groups-containing (co)polymers AKZO N.V. (NL) 1992-10-20 US disclosed
EP-0273990-B1 NOVEL ORGANIC PEROXIDES AND THEIR USE IN THE PREPARATION OF EPOXIDE GROUPS CONTAINING (CO)POLYMERS AKZO N.V. (NL) 1991-09-18 EP disclosed
EP-0273990-A1 Novel organic peroxides and their use in the preparation of epoxide groups containing (co)polymers AKZO N.V. (NL) 1988-07-13 EP disclosed
US-4111917-A POLYURETHANES W. R. GRACE & CO. (US) 1978-09-05 US disclosed
US-4105697-A Process for the preparation of α, β-ethylenic aldehydes RHONE-POULENC INDUSTRIES (FR) 1978-08-08 US disclosed
US-4097531-A HEATING UNSATURATED HALO-KETONES, ALKALINE EARTH METAL CARBONATE, LIQUID GLYCOL VEHICLE SCM CORPORATION (US) 1978-06-27 US disclosed