Allo-Ocimene

Allo-Ocimene

SCHEMBL9011362

C/C=C(C)/C=C/C=C(C)C.C=C/C(C)=C/CCC(=C)C.C=CC(=C)CCC=C(C)C

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PGR P06401 1/20 0.42

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
Allo-Ocimene SCHEMBL8201857 0.91 NR1I2 (0.41) TSHRNR1I2LMNAPGR
Myrcene SCHEMBL5977721 0.87 TSHR (0.74) TSHRNR1I2LMNAPGR
Myrcene SCHEMBL8381082 0.87 TSHR (0.74) TSHRNR1I2LMNAPGR
SCHEMBL29587138 0.85 TSHR (0.60) TSHRNR1I2LMNAPGR
Myrcene SCHEMBL6465671 0.81 TSHR (0.65) TSHR
SCHEMBL31509374 0.76 TSHR (0.71) TSHR
Myrcene SCHEMBL8017787 0.75 TSHR (0.56) TSHR
Myrcene SCHEMBL1867602 0.74 TSHR (1.00) TSHR
Myrcene SCHEMBL21622 0.74 TSHR (1.00) TSHR
SCHEMBL21954156 0.74 TSHR (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5527936-A CONTACTING UNSATURATED COMPOUND WITH SILICON SOURCE IN THE PRESENCE OF AZO-CONTAINING FREE RADICAL CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-06-18 US disclosed