SCHEMBL8533403

SCHEMBL8533403

C/C=C(\C)CC(C)(C)CC

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8533405 1.00 TSHR (0.30) TSHRTDP1
SCHEMBL26336434 1.00 TSHR (0.30) TSHRTDP1
SCHEMBL28248441 0.79
SCHEMBL28281182 0.75 ALDH1A1 (0.39)
SCHEMBL17987057 0.74 ALDH1A1 (0.30) TDP1
SCHEMBL790349 0.73
SCHEMBL790399 0.73
SCHEMBL790350 0.73
SCHEMBL100228 0.73
SCHEMBL19345701 0.72 L3MBTL1 (0.35) 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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620234-B1 Process for preparing an aqueous dispersion pre-crosslinked with methacrylic acid anhydride ATOCHEM ELF SA (FR) 1998-03-18 EP disclosed
EP-0620234-A1 Process for preparing an aqueous dispersion pre-crosslinked with methacrylic acid anhydride ELF ATOCHEM S.A. (FR) 1994-10-19 EP disclosed
US-4614610-A Branched chain saturated ketones and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-09-30 US disclosed
US-4534891-A ORGANOLEPTICS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-08-13 US disclosed
US-4532361-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-07-30 US disclosed
US-4524783-A Alkanoic acid esters of 3,4,5,6,6-pentamethyl heptanol-2 and alkyl homologues thereof; process for preparing same and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-06-25 US disclosed
US-4517990-A 3,4,5,6,6-Pentamethyl hexanol-2 and alkyl homologues thereof; process for preparing same and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-05-21 US disclosed
US-4517991-A 3,4,5,6,6-Pentamethyl hexanol-2 and alkyl homologues thereof; process for preparing same and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-05-21 US disclosed
US-4513757-A FOR SMOKING TOBACCOS AND ARTICLES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-04-30 US disclosed
EP-0042734-B1 OLEFIN DIMERS, DERIVATIVES THEREOF AND ORGANOLEPTIC USES THEREOF INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-03-20 EP disclosed
US-4330425-A Use of mixture of aliphatic C10 branched olefin epoxides in augmenting or enhancing the aroma of articles subjected to action of aqueous hypochlorites INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-05-18 US disclosed
US-4321255-A Use of branched ketones in augmenting or enhancing the aroma or taste of foodstuffs, chewing gums, toothpastes or chewing tobacco INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-03-23 US disclosed
EP-0047572-A1 Branched-chain ketones, process of organoleptically modifying, augmenting or enhancing therewith and a process for producing a staple single phase aqueous alkaline metal hypochlorite solution containing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-03-17 EP disclosed
US-4318934-A Flavoring with branched chain olefinic alcohols INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-03-09 US disclosed
US-4315952-A Flavoring with dioxolanes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-02-16 US disclosed
EP-0042734-A2 Olefin dimers, derivatives thereof and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-12-30 EP disclosed
US-4304689-A Aliphatic C11 branched chain aldehydes and alcohols, process for preparing same and uses thereof in augmenting or enhancing the aroma of perfumes, colognes and/or perfumed articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-12-08 US disclosed
US-4303555-A Use of mixture of aliphatic C10 branched olefins in augmenting or enhancing the aroma of perfumes, and/or perfumed articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-12-01 US disclosed
US-4287084-A WHEREIN THE OLEFINS ARE DIMERS OF ISOAMYLENE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-09-01 US disclosed
US-4048130-A COPOLYMERIZATION, UNSATURATED ACIDS LONZA LTD. (CH) 1977-09-13 US disclosed