Toluene

Toluene

SCHEMBL27598259

Cc1ccccc1.O=S(=O)(O)OS(=O)(=O)O

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.52
▸ ACHE P22303 2/20 0.52
▸ ALOX12 P18054 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ CES2 O00748 2/20 0.46
▸ CES1 P23141 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ BCHE P06276 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 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
Toluene SCHEMBL28099821 0.98 TSHR (0.50) TSHRACHEALOX12LMNACES2
Toluene SCHEMBL3411689 0.86 TSHR (0.52) TSHRACHEALOX12LMNACES2
Toluene SCHEMBL10790791 0.86 LMNA (0.52) TSHRACHEALOX12LMNACES2
Toluene SCHEMBL11606666 0.85 TSHR (0.58) TSHRACHEALOX12LMNACES2
Toluene SCHEMBL11123126 0.85 LMNA (0.65) TSHRACHEALOX12LMNACES2
Toluene SCHEMBL248686 0.85 LMNA (0.65) TSHRACHEALOX12LMNACES2
Toluene SCHEMBL28278505 0.84 VDR (0.47) TSHRACHEALOX12LMNASMN1; SMN2
Toluene SCHEMBL9093263 0.84 TSHR (0.50) TSHRACHEALOX12LMNACES2
Toluene SCHEMBL27501407 0.84 LMNA (0.50) TSHRACHEALOX12LMNACES2
Toluene SCHEMBL28199551 0.84 LMNA (0.50) TSHRACHEALOX12LMNACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100355425-C Stable granules containing S-adenosylmethionine and process for preparing same CHEMISTRY & HEALTH INT BV (CH) 2007-12-19 — — CN claimed
CN-1612727-A Stable granulates containing S-adenosylmethionine and process for the preparation thereof CHEMISTRY & HEALTH INT BV (CH) 2005-05-04 — — CN claimed
CN-106714810-A Novel ademetionine formulations 甲基化物科学国际有限公司 2017-05-24 — — CN disclosed
CN-103704723-A Nutritional preparation rich in active amino acids BEIJING KAWIN TECHNOLOGY SHARE HOLDING CO LTD 2014-04-09 — — CN disclosed
CN-100355425-C Stable granules containing S-adenosylmethionine and process for preparing same CHEMISTRY & HEALTH INT BV (CH) 2007-12-19 — — CN disclosed
CN-1612727-A Stable granulates containing S-adenosylmethionine and process for the preparation thereof CHEMISTRY & HEALTH INT BV (CH) 2005-05-04 — — CN disclosed
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