SCHEMBL1782793

SCHEMBL1782793

CC(C)C/C=C/C=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
SCHEMBL13853338 1.00
SCHEMBL1782794 1.00
SCHEMBL1783094 0.79 TRPA1 (0.40)
SCHEMBL1783092 0.79 TRPA1 (0.40)
SCHEMBL10022215 0.78 TRPA1 (0.43)
SCHEMBL1785189 0.78 TRPA1 (0.43)
SCHEMBL177574 0.78
SCHEMBL177575 0.78
SCHEMBL1785188 0.78 TRPA1 (0.43)
SCHEMBL1782587 0.78 TRPA1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116515556-B Additive for herbal cigarette, preparation method thereof and application thereof in cigarette 云南中烟工业有限责任公司 2025-01-21 CN claimed
CN-116515556-A Additive for herbal cigarette, preparation method thereof and application thereof in cigarette 云南中烟工业有限责任公司 2023-08-01 CN claimed
EP-4525821-A1 COMPOSITIONS THAT ENHANCE THE COOLING EFFECT Firmenich Incorporated (US) 2025-03-26 EP disclosed
CN-116515556-B Additive for herbal cigarette, preparation method thereof and application thereof in cigarette 云南中烟工业有限责任公司 2025-01-21 CN disclosed
CN-116515556-B Additive for herbal cigarette, preparation method thereof and application thereof in cigarette 云南中烟工业有限责任公司 2025-01-21 CN disclosed
WO-2024011086-A1 COMPOSITIONS THAT ENHANCE THE COOLING EFFECT FIRMENICH INCORPORATED (US) 2024-01-11 WO disclosed
EP-4251122-A1 COMPOSITIONS THAT ENHANCE THE COOLING EFFECT Firmenich Incorporated (US) 2023-10-04 EP disclosed
CN-116515556-A Additive for herbal cigarette, preparation method thereof and application thereof in cigarette 云南中烟工业有限责任公司 2023-08-01 CN disclosed
CN-116515556-A Additive for herbal cigarette, preparation method thereof and application thereof in cigarette 云南中烟工业有限责任公司 2023-08-01 CN disclosed
WO-2022155054-A1 COMPOSITIONS THAT ENHANCE THE COOLING EFFECT FIRMENICH INCORPORATED (US) 2022-07-21 WO disclosed
EP-3048058-B1 THERMOFORMED CONTAINER AND PRODUCTION METHOD THEREOF KURARAY CO (JP) 2022-04-27 EP disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
EP-1114810-B1 PROCESSES FOR PREPARING CYCLOHEXANEDIMETHANOLS AND INTERMEDIATES THEREOF SHOWA DENKO KK (JP) 2006-09-13 EP disclosed
US-6410809-B1 REACTING AN UNSATURATED ALDEHYDE WITH A CONJUGATED DIENE; CYCLIZATION SHOWA DENKO K.K. (JP) 2002-06-25 US disclosed
EP-1114810-A1 PROCESSES FOR PREPARING CYCLOHEXANEDIMETHANOLS AND INTERMEDIATES THEREOF Showa Denko K.K. (JP) 2001-07-11 EP disclosed
US-6072089-A REACTING 2-BUTENAL DERIVATIVE WITH FORMALDEHYDE, HYDROGENATING MIXTURE OF PRODUCTS WITHOUT SEPARATING KYOWA YUKA CO., LTD. (JP) 2000-06-06 US disclosed
EP-0807617-A1 PROCESS FOR PREPARING 1,5-PENTANEDIOL DERIVATIVE Kyowa Yuka Co., Ltd. (JP) 1997-11-19 EP disclosed
EP-0274379-B1 PROCESS FOR PREPARING PYRIDINE-2,3-DICARBOXYLIC ACID COMPOUNDS SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-30 EP disclosed
US-4973695-A FROM UNSATURATED ALDEHYDE OR KETONE WITH OXODIESTER SUGAI CHEMICAL IND. CO., LTD. (JP) 1990-11-27 US disclosed
EP-0274379-A2 Process for preparing pyridine-2,3-dicarboxylic acid compounds SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-13 EP disclosed