Trinitrotoluene

Trinitrotoluene

SCHEMBL9101080

Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-].[AlH3]

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
GPR35 Q9HC97 5/20 0.59
TSHR P16473 3/20 0.56
TDP1 Q9NUW8 5/20 0.54
MAPK1 P28482 3/20 0.52
MAPT P10636 3/20 0.52
CYP1A2 P05177 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 2/20 0.52
HIF1A Q16665 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
TTR P02766 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
RECQL P46063 1/20 0.52
PMP22 Q01453 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP3A4 P08684 1/20 0.50

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
Trinitrotoluene SCHEMBL20676 0.98 ALDH1A1 (0.61) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL891182 0.98 ALDH1A1 (0.61) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL14966251 0.95 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL9101074 0.95 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL28861138 0.95 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL14966503 0.95 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL1272395 0.95 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL29643505 0.95 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL2566651 0.95 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1
Trinitrotoluene SCHEMBL28218293 0.95 ALDH1A1 (0.59) ALDH1A1GPR35TSHRTDP1MAPK1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110668949-B Separation and recovery method of retired ladder black aluminum explosive 北京理工大学 2020-10-13 CN claimed
CN-111256540-A Light pre-pressure ceramic protective armor 北京理工大学 2020-06-09 CN claimed
CN-110668949-A Separation and recovery method of retired ladder black aluminum explosive 北京理工大学 2020-01-10 CN claimed
CN-101793485-B Armature-free explosive magnetic compression generator BEIJING INST TECHNOLOGY 2013-04-10 CN claimed
CN-101793485-A Armature-free explosive magnetic compression generator BEIJING INST TECHNOLOGY 2010-08-04 CN claimed
WO-2023114025-A1 REMOVAL OF MATERIALS FROM WATER PHOSPHORUS FREE WATER SOLUTIONS, LLC (US) 2023-06-22 WO disclosed
CN-114555214-A Removal of material from water 无磷水解决方案有限责任公司 2022-05-27 CN disclosed
CN-114502512-A Removal of material from water 无磷水解决方案有限责任公司 2022-05-13 CN disclosed
EP-3983114-A1 REMOVAL OF MATERIALS FROM WATER Phosphorus Free Water Solutions, LLC (US) 2022-04-20 EP disclosed
EP-3983342-A1 REMOVAL OF MATERIALS FROM WATER Phosphorus Free Water Solutions, LLC (US) 2022-04-20 EP disclosed
US-11225420-B2 Removal of materials from water PHOSPHORUS FREE WATER SOLUTIONS, LLC (US) 2022-01-18 US disclosed
US-11220443-B2 Removal of phosphorus and nitrogen from water PHOSPHORUS FREE WATER SOLUTIONS, LLC (US) 2022-01-11 US disclosed
US-20210179456-A1 REMOVAL OF MATERIALS FROM WATER NUQUATIC, LLC 2021-06-17 US disclosed
CN-110668949-B Separation and recovery method of retired ladder black aluminum explosive 北京理工大学 2020-10-13 CN disclosed
CN-111256540-A Light pre-pressure ceramic protective armor 北京理工大学 2020-06-09 CN disclosed
CN-110668949-A Separation and recovery method of retired ladder black aluminum explosive 北京理工大学 2020-01-10 CN disclosed
CN-209752310-U Explosive filter residue filtering device for explosive production cooling water tank SANTAI CHEMICAL IND CO LTD OF YAHUA GROUP 2019-12-10 CN disclosed
CN-101793485-B Armature-free explosive magnetic compression generator BEIJING INST TECHNOLOGY 2013-04-10 CN disclosed
CN-101793485-A Armature-free explosive magnetic compression generator BEIJING INST TECHNOLOGY 2010-08-04 CN disclosed
WO-1996037265-A2 METHOD FOR SAFELY DISPOSING OF PROPELLANT AND EXPLOSIVE MATERIALS AND FOR PREPARING FERTILIZER COMPOSITIONS ARCTECH INC. (US) 1996-11-28 WO disclosed