Beta-Pinene

Beta-Pinene

SCHEMBL6989826

C=C1CCC2CC1C2(C)C.C=C1CCC2CC1C2(C)C.C=C1CCC2CC1C2(C)C.C=C1CCC2CC1C2(C)C.C=C1CCC2CC1C2(C)C.C=C1CCC2CC1C2(C)C.C=C1CCC2CC1C2(C)C.C=C1CCC2CC1C2(C)C.C=C1CCC2CC1C2(C)C.C=C1CCC2CC1C2(C)C.[S-2].[S-2].[S-2].[S-2].[S-2]

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TRPA1 O75762 1/20 0.33
HDAC6 Q9UBN7 1/20 0.31

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
Beta-Pinene SCHEMBL900792 0.98 TSHR (0.38) TSHRMAPK1TRPA1
Beta-Pinene SCHEMBL13300 0.98 TSHR (0.38) TSHRMAPK1TRPA1
Beta-Pinene SCHEMBL1636093 0.98 TSHR (0.38) TSHRMAPK1TRPA1
(+)-Beta-Pinene SCHEMBL3506800 0.98 TSHR (0.38) TSHRMAPK1TRPA1
Beta-Pinene SCHEMBL1532504 0.98 TSHR (0.38) TSHRMAPK1TRPA1
Beta-Pinene SCHEMBL12971216 0.96 TSHR (0.36) TSHRMAPK1TRPA1
Beta-Pinene SCHEMBL12971319 0.96 TSHR (0.36) TSHRMAPK1TRPA1
Beta-Pinene SCHEMBL12986238 0.96 TSHR (0.36) TSHRMAPK1TRPA1
Beta-Pinene SCHEMBL9785671 0.94 TSHR (0.35) TSHRMAPK1TRPA1
Beta-Pinene SCHEMBL5086803 0.88 TRPA1 (0.33) TSHRMAPK1TRPA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856041-B1 POWER TRANSMITTING FLUIDS OF IMPROVED ANTIWEAR PERFORMANCE INFINEUM USA LP (US) 2003-01-02 EP disclosed
US-6262000-B1 ADDING NEUTRALIZATION PRODUCT OF ALIPHATIC PRIMARY AMINE AND HYDROXY-SUBSTITUTED TRIESTER OF PHOSPHOROTHIOIC ACID TREATED WITH INORGANIC PHOSPHORUS COMPOUND EXXON CHEMICAL PATENTS INC 2001-07-17 US disclosed
EP-0856041-A1 POWER TRANSMITTING FLUIDS OF IMPROVED ANTIWEAR PERFORMANCE EXXON CHEMICAL PATENTS INC. (US) 1998-08-05 EP disclosed
WO-1997014770-A1 POWER TRANSMITTING FLUIDS OF IMPROVED ANTIWEAR PERFORMANCE EXXON CHEMICAL PATENTS INC. (US) 1997-04-24 WO disclosed