Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL11651995

N.O=C(OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.58
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
CYP2C19 P33261 1/20 0.45
NAAA Q02083 2/20 0.44
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL37472 0.97 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL984315 0.97 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL13387598 0.97 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL11589654 0.97 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL8426647 0.97 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL8991654 0.97 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
Hydrogen Peroxide SCHEMBL28079673 0.94 EPHX1 (0.58) EPHX1CA12CA1CA2CA9
SCHEMBL1080505 0.94 EPHX1 (0.58) EPHX1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL6487536 0.94 EPHX1 (0.58) EPHX1CA12CA1CA2CA9
SCHEMBL982024 0.94 EPHX1 (0.56) EPHX1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3953344-A THERMOPLASTIC RESIN, GROUP 2A METAL SOAP, CORROSION INHIBITOR NIPPON PAINT CO., LTD. (JA) 1976-04-27 US claimed
US-4101328-A ZINC-SURFACED STEEL SUBSTRATE, PH ADJUSTING AMINE A. F. INDUSTRIES, INC. (US) 1978-07-18 US disclosed
US-3953344-A THERMOPLASTIC RESIN, GROUP 2A METAL SOAP, CORROSION INHIBITOR NIPPON PAINT CO., LTD. (JA) 1976-04-27 US disclosed