SCHEMBL317017

SCHEMBL317017

CC=CC(C)C(=O)O

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
SCHEMBL873697 1.00
SCHEMBL15447570 1.00
SCHEMBL15447562 1.00
SCHEMBL28333345 1.00
SCHEMBL16449146 1.00
SCHEMBL317016 1.00
SCHEMBL6649754 0.84 TP53 (0.47)
SCHEMBL18168769 0.84 TP53 (0.47)
SCHEMBL6649752 0.84 TP53 (0.47)
SCHEMBL12427680 0.84 TP53 (0.47)

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 1078 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12496370-B2 Freshening compositions comprising controlled release modulators Arylessence, Inc. (US) 2025-12-16 US claimed
US-20240306688-A1 METHOD OF MITIGATING OFF-ODORS GIVAUDAN SA (CH) 2024-09-19 US claimed
EP-4391827-A1 METHOD OF MITIGATING OFF-ODORS Givaudan SA (CH) 2024-07-03 EP claimed
CN-117897055-A Method for reducing abnormal odor 奇华顿股份有限公司 2024-04-16 CN claimed
US-11806448-B2 Freshening compositions comprising controlled release modulators Arylessence, Inc. (US) 2023-11-07 US claimed
WO-2023025549-A1 METHOD OF MITIGATING OFF-ODORS GIVAUDAN SA (CH) 2023-03-02 WO claimed
CN-113336637-B Synthesis method of trans-2-methyl-2-pentenoic acid 山东新和成药业有限公司 2022-07-15 CN claimed
CN-113336637-A Synthesis method of trans-2-methyl-2-pentenoic acid 山东新和成药业有限公司 2021-09-03 CN claimed
EP-3809876-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2021-04-28 EP claimed
WO-2019243869-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2019-12-26 WO claimed
EP-0291033-A1 Preparation of 4-pentenoates by isomerization E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-17 EP claimed
EP-0274076-A2 Acid accelerated hydrocarboxylation E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-07-13 EP claimed
US-4544767-A HYDROGENATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1985-10-01 US claimed
US-4250200-A Flavoring with a mixture of isochroman musk compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-02-10 US claimed
US-4233230-A Process for preparing olefins by metathesis of cyclic olefins with acyclic olefins RHONE-POULENC INDUSTRIES (FR) 1980-11-11 US claimed
US-4000327-A BERRY FRUIT FOODSTUFFS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-28 US claimed
US-3998873-A ORGANOLEPTICS, PERFUMES, AROMAS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-21 US claimed
US-3984579-A Novel flavoring compositions and products containing isomer mixtures containing high proportions of 2-methyl-cis-3-pentenoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-05 US claimed
US-3931306-A Process for producing isomer mixtures containing high proportions of cis-2-methyl-3-pentenoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-01-06 US claimed
US-3931293-A Processes for producing cis alkyl-2-methyl-3-pentenoates and isomer mixtures containing high proportions of cis alkyl-2-methyl-3-pentenoates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-01-06 US claimed