SCHEMBL181303

SCHEMBL181303

CCCCCCCCCCCC#N

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.77
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
DNM1 Q05193 4/20 0.41
PTPN7 P35236 3/20 0.39
HMGCR P04035 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Palmitonitrile SCHEMBL17183997 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL2154283 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL11095447 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
Octane SCHEMBL6002112 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL181158 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL60342 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
Heptane SCHEMBL3240570 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL345850 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
Octane SCHEMBL20497305 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL61880 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1

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

Appears in 2279 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12589377-B2 Encapsulated composition comprising core-shell microcapsules and process for its preparation GIVAUDAN SA (CH) 2026-03-31 US claimed
US-12559703-B2 Fragrance composition GIVAUDAN SA (CH) 2026-02-24 US claimed
WO-2025202258-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2025-10-02 WO claimed
US-12421475-B2 High performing, high impact bloom accord with a top, medium, and base note mixture INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2025-09-23 US claimed
US-12398341-B2 Apparatus and compositions for improving scent delivery THE PROCTER & GAMBLE COMPANY (US) 2025-08-26 US claimed
EP-4600285-A1 FOAMABLE POLYURETHANE COMPOSITION COMPRISING A NITRILE Henkel AG & Co. KGaA (DE) 2025-08-13 EP claimed
US-12247180-B2 Apparatus and compositions for improving scent delivery THE PROCTER & GAMBLE COMPANY (US) 2025-03-11 US claimed
EP-4514477-A1 FRAGRANCE COMPOSITIONS HAVING LONG-LASTING TRAIL PERFORMANCE Firmenich SA (CH) 2025-03-05 EP claimed
US-20240396164-A1 Raw Material Composition, a Thermosetting PAN-Based Intermediate Film and a Preparation Method Therefor, and an Electrochemical Device HEFEI GOTION HIGH-TECH POWER ENERGY CO., LTD. (CN) 2024-11-28 US claimed
EP-4438065-A2 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2024-10-02 EP claimed
EP-0809714-A4 MODIFIERS FOR ALDOXIME EXTRACTANT OF METAL VALUES HENKEL CORP (US) 1998-05-06 EP claimed
EP-0809714-A1 MODIFIERS FOR ALDOXIME EXTRACTANT OF METAL VALUES HENKEL CORPORATION (US) 1997-12-03 EP claimed
WO-1996025525-A1 MODIFIERS FOR ALDOXIME EXTRACTANT OF METAL VALUES HENKEL CORPORATION (US) 1996-08-22 WO claimed
EP-0299561-B1 Perfume and bleach compositions UNILEVER NV (NL) 1996-01-10 EP claimed
EP-0267976-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF BICYCLIC AMIDE ACETALS Ashland Oil, Inc. (US) 1990-08-29 EP claimed
EP-0042177-B1 STABILIZERS FOR CYCLOALIPHATIC EPOXIDE CONTAINING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1986-07-02 EP claimed
EP-0157426-A2 Flame retardant thermoplastic polyester molding composition E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-10-09 EP claimed
EP-0042177-A1 Stabilizers for cycloaliphatic epoxide containing compositions UNION CARBIDE CORPORATION (US) 1981-12-23 EP claimed
US-4294746-A NITRILES OR ISOCYANATES FOR MOLDED ARTICLES UNION CARBIDE CORPORATION (US) 1981-10-13 US claimed
US-4145895-A Apparatus for storing goods at stable temperatures in a heat-insulated container ASTRA-MEDITEC AB 1979-03-27 US claimed