SCHEMBL11219296

SCHEMBL11219296

CCC(CC)C(C(=O)O)([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.31
CPA1 P15085 1/20 0.31

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
SCHEMBL28272762 0.75 CPA1 (0.33) ALDH1A1TSHRCPA1
SCHEMBL10900408 0.71 CPA1 (0.31) CPA1
SCHEMBL8725998 0.67 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL2097975 0.66 FFAR3 (0.35) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL27674351 0.65 MEN1 (0.31) ALDH1A1
SCHEMBL28272721 0.65 TSHR (0.35) ALDH1A1TSHR
Phosphine SCHEMBL28175111 0.65 MEN1 (0.31) ALDH1A1
SCHEMBL4155115 0.65 TSHR (0.35) ALDH1A1TSHR
SCHEMBL10951913 0.64 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL1562024 0.64 TSHR (0.38) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336085-A MODIFYING THE DETONATION VELOCITY WALKER FRANKLIN E 1982-06-22 US disclosed
US-4304614-A AMMUNITION, DYNAMIC LASERS, FUSES, WELDING WALKER FRANKLIN E 1981-12-08 US disclosed
US-4196026-A LOW MOLECULAR WEIGHT WALKER FRANKLIN E 1980-04-01 US disclosed
US-4142927-A ISOCYANATES, OLEFINS OR IODINE AS SCAVENGERS WALKER FRANKLIN E 1979-03-06 US disclosed