SCHEMBL5792579

SCHEMBL5792579

CCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL20609998 0.89 TSHR (0.40) TSHRTDP1
SCHEMBL12450332 0.73 TSHR (0.33) TSHRTDP1
SCHEMBL19322759 0.73 ALDH1A1 (0.35) TSHRTDP1
SCHEMBL18499802 0.73 TSHR (0.33) TSHRTDP1
SCHEMBL582076 0.72
SCHEMBL9442166 0.71
SCHEMBL597698 0.71 TSHR (0.55) TSHRTDP1
Ammonia Solution, Strong SCHEMBL2385814 0.69 TSHR (0.43) TSHRTDP1
SCHEMBL29300098 0.69 TSHR (0.35) TSHRTDP1
SCHEMBL17607584 0.69 TSHR (0.35) TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060165749-A1 Moisture-activated release of fragrances from novel pourable lotion formulations WILLE JOHN J 2006-07-27 US disclosed
WO-2006002089-A2 NOVEL TOPICAL DELIVERY SYSTEM FOR PLANT DERIVED ANTI-IRRITANTS WILLE JOHN J (US) 2006-01-05 WO disclosed
US-20050048020-A1 Novel topical delivery system for plant derived anti-irritants WILLE JOHN J (US) 2005-03-03 US disclosed