SCHEMBL2788515

SCHEMBL2788515

NP(=O)(N(Cl)Cl)N(CCCl)CCCl

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9876585 0.78 FDPS (0.32)
SCHEMBL3767794 0.76 ALDH1A1 (0.50) ALDH1A1
Hydrochloric Acid SCHEMBL9144470 0.74 ALDH1A1 (0.48) ALDH1A1
SCHEMBL12207461 0.72 ALDH1A1 (0.42) ALDH1A1
Phosphoramide Mustard SCHEMBL12937644 0.72 ALDH1A1 (0.68) ALDH1A1
Phosphoramide Mustard SCHEMBL3103104 0.72 ALDH1A1 (0.68) ALDH1A1
SCHEMBL9216457 0.72
Phosphoramide Mustard SCHEMBL8929440 0.70 ALDH1A1 (0.66) ALDH1A1
SCHEMBL15494272 0.68 ALDH1A1 (0.40) ALDH1A1
SCHEMBL314234 0.67 ALDH1A1 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114634662-A Pipeline sound insulation material prepared from straw and preparation method thereof 湖南登科材料科技有限公司 2022-06-17 CN claimed
JP-2032091-A None JP disclosed
CN-114634662-A Pipeline sound insulation material prepared from straw and preparation method thereof 湖南登科材料科技有限公司 2022-06-17 CN disclosed
CN-114634662-A Pipeline sound insulation material prepared from straw and preparation method thereof 湖南登科材料科技有限公司 2022-06-17 CN disclosed
EP-2240501-B1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR FOR TARGETING BONE TISSUE UNIV NANTES (FR) 2015-10-14 EP disclosed
US-8361993-B2 Hydroxy-bisphosphonic acid derivatives as vector targeting bone tissue UNIVERSITE DE NANTES (FR) 2013-01-29 US disclosed
US-20100311695-A1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR TARGETING BONE TISSUE UNIVERSITE DE NANTES 2010-12-09 US disclosed
US-20030109737-A1 Process for the preparation of oxazaphosphorine-2-amines NIEMEYER ULF (DE) 2003-06-12 US disclosed
US-20010047103-A1 Process for the preparation of oxazaphosphorine-2-amines ASTA MEDICA AKTIENGESELLSCHAFT 2001-11-29 US disclosed
US-6187941-B1 A CHEMICAL CONDENSATION CYCLIZATION REACTION OF THE PHOSPHORYL HALIDE WITH THE AMINES; TWO STEPS WITHOUT ISOLATION OF THE INTERMEDIATE ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-02-13 US disclosed
US-5132416-A KETOPHOSPHAMIDE GLYCOSIDES BAYER AKTIENGESELLSCHAFT (DE) 1992-07-21 US disclosed
US-5126437-A ALDOPHOSPHAMIDE GLYCOSIDES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL ACTIVE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed
JP-H0232091-A NEW ALDOPHOSPHAMIDE GLYCOSIDE, ITS PRODUCTION AND USE BAYER AG 1990-02-01 JP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030109737-A1 Process for the preparation of oxazaphosphorine-2-amines PHOSPHO1, H1-0, H1-2 ALDH1A1 3485/4885
US-20100311695-A1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR TARGETING BONE TISSUE BPGM, SOST, PTH1R ALDH1A1 1376/4885
US-20010047103-A1 Process for the preparation of oxazaphosphorine-2-amines PHOSPHO1, H1-0, H1-2 ALDH1A1 3485/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.