SCHEMBL5247143

SCHEMBL5247143

[CH2]C(CC)C(S)C(CC)CCCC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
DNM1 Q05193 2/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 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
SCHEMBL11059337 0.84 ALDH1A1 (0.39) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL28550998 0.79 ALDH1A1 (0.44) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL5248114 0.74 ALDH1A1 (0.37) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL5248559 0.74 ALDH1A1 (0.37) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL11817761 0.72 ALDH1A1 (0.46) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL7056544 0.72 ALDH1A1 (0.31) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL3092362 0.72 ALDH1A1 (0.37) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL1974135 0.72 ALDH1A1 (0.37) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL5249548 0.71 ALDH1A1 (0.33) ALDH1A1TDP1TSHRCYP3A4
SCHEMBL349094 0.71 LMNA (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379598-B1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AG (DE) 2007-09-12 EP disclosed
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
EP-1379598-A1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-01-14 EP disclosed
WO-2002086000-A1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2002-10-31 WO disclosed