SCHEMBL8679902

SCHEMBL8679902

O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
ALDH1A1 P00352 2/20 0.56
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL500130 0.80
Chloropicrin SCHEMBL604956 0.78 TSHR (1.00) TSHRALDH1A1TDP1MEN1KMT2A
Chloropicrin SCHEMBL75169 0.78
Chloropicrin SCHEMBL31207791 0.75
SCHEMBL11662477 0.75
Chloropicrin SCHEMBL10611964 0.75
SCHEMBL5574571 0.75 TSHR (0.64) TSHRALDH1A1TDP1MEN1KMT2A
Chloropicrin SCHEMBL4919593 0.74 TSHR (0.73) TSHRALDH1A1TDP1
SCHEMBL620257 0.72
SCHEMBL29060558 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817670-A1 PORTABLE DEVICE FOR PRESERVING ORGANS BY STATIC STORAGE OR PERFUSION Organ, Inc. (US) 1998-01-14 EP disclosed
US-5586438-A Portable device for preserving organs by static storage or perfusion ORGAN, INC. (US) 1996-12-24 US disclosed
WO-1996030111-A1 PORTABLE DEVICE FOR PRESERVING ORGANS BY STATIC STORAGE OR PERFUSION ORGAN, INC. (US) 1996-10-03 WO disclosed
EP-0341496-B1 Modified diene polymer rubbers SUMITOMO CHEMICAL CO (JP) 1993-10-20 EP disclosed
US-5219938-A Reacting a living polymer of a conjugated diene with a tin or silicon compound and with a nitro compound, a phosphoryl chloride, aminosilane, an acrylamide or an aminovinylsilane; auto tires; impact strength; cold resistance; storage SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-15 US disclosed
US-5128416-A Automobile tire treads SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-07 US disclosed
US-5015692-A Rubbers for tires having impact strength SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-14 US disclosed
US-4957976-A IMPROVED PROPERTIES FOR AUTOMOBILE TIRES, MODIFIED WITH PHOSPHORYL CHLORIDE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1990-09-18 US disclosed
EP-0341496-A2 Modified diene polymer rubbers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-15 EP disclosed
EP-0270071-A2 Process for preparing modified diene polymer rubbers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-08 EP disclosed