Nitromethane

Nitromethane

SCHEMBL7715140

COCCOC.C[N+](=O)[O-]

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.30
HPGD P15428 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
Lithium Ion SCHEMBL28224844 0.87 MEN1 (0.38) LMNATSHRALDH1A1MAPTPOLB
Dimethoxymethane SCHEMBL27802983 0.80 TSHR (0.37) TSHR
SCHEMBL2435270 0.79
SCHEMBL27908638 0.79 ALDH1A1 (0.41) LMNATSHRALDH1A1MAPT
Lithium Ion SCHEMBL28294852 0.79 CA2 (0.39) LMNATSHRALDH1A1MAPTPOLB
Nitromethane SCHEMBL28709506 0.78
SCHEMBL4637926 0.75
Nitromethane SCHEMBL29707679 0.73
SCHEMBL251442 0.73 ALDH1A1 (0.33) TSHRALDH1A1
Nitromethane SCHEMBL525 0.73

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
US-6429297-B1 DRUG DELIVERY; DIAGNOSIS, THERAPY UNIVERSITY OF ROCHESTER 2002-08-06 US disclosed
EP-0832111-A4 MODIFIED AVIDIN AND STREPTAVIDIN AND METHODS OF USE THEREOF ROSEBROUGH SCOTT F (US) 1999-03-03 EP disclosed
EP-0832111-A1 MODIFIED AVIDIN AND STREPTAVIDIN AND METHODS OF USE THEREOF Rosebrough, Scott F. (US) 1998-04-01 EP disclosed
WO-1996040761-A9 MODIFIED AVIDIN AND STREPTAVIDIN AND METHODS OF USE THEREOF 1997-01-30 WO disclosed
WO-1996040761-A1 MODIFIED AVIDIN AND STREPTAVIDIN AND METHODS OF USE THEREOF ROSEBROUGH SCOTT F (US) 1996-12-19 WO disclosed