SCHEMBL4958367

SCHEMBL4958367

CCC(O)O.O=C(O)Cl.O=C(O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
FFAR3 O14843 2/20 0.39
TP53 P04637 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
GPR84 Q9NQS5 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33

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
Bicarbonate SCHEMBL5083789 0.86
Butanol SCHEMBL27843140 0.84
Acetic Acid SCHEMBL10353591 0.83 FFAR3 (0.50) TSHRFFAR3TP53ALDH1A1HDAC1
Acetic Acid SCHEMBL1362080 0.83
Oxalic Acid SCHEMBL8730478 0.83 FFAR3 (0.41) TSHRFFAR3TP53HDAC1HDAC2
Oxalic Acid SCHEMBL29895907 0.83 FFAR3 (0.41) TSHRFFAR3TP53HDAC1HDAC2
Dichloroacetic Acid SCHEMBL15841305 0.81 LMNA (0.59) TSHRFFAR3TP53ALDH1A1HDAC1
Chloroacetic Acid SCHEMBL11779915 0.81 TSHR (0.59) TSHRFFAR3TP53ALDH1A1HDAC1
Carbamic Acid SCHEMBL88488 0.80
Propionic Acid SCHEMBL1362098 0.80 FFAR3 (0.67) TSHRFFAR3TP53ALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1438368-B1 PHOTOCHROMIC POLYMERIZABLE COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2008-02-20 EP claimed
US-6998072-B2 Containing polymerizable material and photochromic compound; ophthalmic lenses TRANSITIONS OPTICAL, INC. (US) 2006-02-14 US claimed
US-6916537-B2 Articles having a photochromic polymeric coating TRANSITIONS OPTICAL INC. (US) 2005-07-12 US claimed
EP-1451256-B1 ARTICLES HAVING A PHOTOCHROMIC POLYMERIC COATING TRANSITIONS OPTICAL INC (US) 2005-06-29 EP claimed
US-20030143404-A1 Articles having a photochromic polymeric coating TRANSITIONS OPTICAL LIMITED (IE) 2003-07-31 US claimed
US-20030136948-A1 Photochromic polymerizable compositions TRANSITIONS OPTICAL LIMITED (IE) 2003-07-24 US claimed
EP-1438368-B1 PHOTOCHROMIC POLYMERIZABLE COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2008-02-20 EP disclosed
US-6998072-B2 Containing polymerizable material and photochromic compound; ophthalmic lenses TRANSITIONS OPTICAL, INC. (US) 2006-02-14 US disclosed
US-6916537-B2 Articles having a photochromic polymeric coating TRANSITIONS OPTICAL INC. (US) 2005-07-12 US disclosed
EP-1451256-B1 ARTICLES HAVING A PHOTOCHROMIC POLYMERIC COATING TRANSITIONS OPTICAL INC (US) 2005-06-29 EP disclosed
US-20030143404-A1 Articles having a photochromic polymeric coating TRANSITIONS OPTICAL LIMITED (IE) 2003-07-31 US disclosed
US-20030136948-A1 Photochromic polymerizable compositions TRANSITIONS OPTICAL LIMITED (IE) 2003-07-24 US disclosed