SCHEMBL29589201

SCHEMBL29589201

N=C(N)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.54
▸ MDM2 Q00987 6/20 0.51
▸ TLR2 O60603 4/20 0.50
▸ MDM4 O15151 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ TGM2 P21980 1/20 0.47

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
SCHEMBL29432853 1.00 KMT2A (0.54) KMT2AMDM2TLR2MDM4TP53
SCHEMBL30674398 1.00 KMT2A (0.54) KMT2AMDM2TLR2MDM4TP53
SCHEMBL29154138 1.00 KMT2A (0.54) KMT2AMDM2TLR2MDM4TP53
SCHEMBL29875729 0.97 KMT2A (0.53) KMT2AMDM2TLR2MDM4TP53
SCHEMBL29514568 0.97 KMT2A (0.53) KMT2AMDM2TLR2MDM4TP53
SCHEMBL26093325 0.97 KMT2A (0.53) KMT2AMDM2TLR2MDM4TP53
SCHEMBL120403 0.97 KMT2A (0.53) KMT2AMDM2TLR2MDM4TP53
SCHEMBL29401239 0.97 KMT2A (0.53) KMT2AMDM2TLR2MDM4TP53
SCHEMBL15521165 0.97 KMT2A (0.53) KMT2AMDM2TLR2MDM4TP53
SCHEMBL18237098 0.97 KMT2A (0.53) KMT2AMDM2TLR2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478708-A Solid phase synthesis method of ganirelix fragment 南京汉欣医药科技有限公司 2022-05-13 — — CN claimed
CN-113929751-B Preparation method of ganirelix acetate 深圳翰宇药业股份有限公司 2025-01-24 — — CN disclosed
CN-113929751-B Preparation method of ganirelix acetate 深圳翰宇药业股份有限公司 2025-01-24 — — CN disclosed
CN-117285600-A Synthesis method of ganirelix acetate 翰宇药业(武汉)有限公司 2023-12-26 — — CN disclosed
CN-114478708-B Fragment solid-phase synthesis method of ganirelix 南京汉欣医药科技有限公司 2023-06-02 — — CN disclosed
CN-114478708-A Solid phase synthesis method of ganirelix fragment 南京汉欣医药科技有限公司 2022-05-13 — — CN disclosed
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