SCHEMBL29072245

SCHEMBL29072245

[CH2]C(CCCC)O[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CA2 P00918 3/20 0.31
CA1 P00915 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FDPS P14324 1/20 0.30
DNM1 Q05193 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
SCHEMBL9951290 0.80 ALDH1A1 (0.42) ALDH1A1CA2CA1TSHRSMN1; SMN2
SCHEMBL3292096 0.78 ALDH1A1 (0.41) ALDH1A1CA2CA1TSHRSMN1; SMN2
SCHEMBL7265440 0.78
SCHEMBL6014859 0.77 ALDH1A1 (0.39) ALDH1A1CA2CA1TSHRSMN1; SMN2
SCHEMBL402444 0.75 ALDH1A1 (0.38) ALDH1A1CA2CA1TSHRSMN1; SMN2
SCHEMBL2800523 0.73
SCHEMBL387200 0.72
SCHEMBL8074240 0.72
SCHEMBL11689707 0.72 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL15052755 0.71 ALDH1A1 (0.45) ALDH1A1CA2CA1FDPS

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
CN-117105736-A Aluminum-free clean propellant with low burning rate temperature sensitivity coefficient and preparation method thereof 湖北航天化学技术研究所 2023-11-24 CN claimed
CN-115624984-B Transition metal doped Co 4 N nano combustion catalyst and preparation method thereof 西北工业大学 2024-03-26 CN disclosed
CN-117105736-A Aluminum-free clean propellant with low burning rate temperature sensitivity coefficient and preparation method thereof 湖北航天化学技术研究所 2023-11-24 CN disclosed
CN-116693388-A Synthesis method of acetic acid 3-bromo-2, 2-bis (bromomethyl) propanol ester 西安近代化学研究所 2023-09-05 CN disclosed