SCHEMBL9653161

SCHEMBL9653161

N[C@@H]1CCCC[C@]1(N)[Pt+2].N[C@H]1CCCC[C@@]1(N)[Pt+2].O=C([O-])C1(C(=O)[O-])CCOCCOCCOCCC(C(=O)[O-])(C(=O)[O-])CCOCCOCCOCC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL9514896 0.79 THRB (0.34)
SCHEMBL9514919 0.79 THRB (0.34)
SCHEMBL9653895 0.74
SCHEMBL9518691 0.70
SCHEMBL9515409 0.70
Silver SCHEMBL10523249 0.70
Sulfuric Acid SCHEMBL9800581 0.70
SCHEMBL9800533 0.66
SCHEMBL9515524 0.65 THRB (0.37)
SCHEMBL28909434 0.64 TSHR (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104895-A PLATINUM(II) COMPLEXES, THEIR PREPARATION AND USE AS ANTI-TUMOR AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-04-14 US claimed
EP-0415939-A1 PLATINUM(II) COMPLEXES, THEIR PREPARATION AND USE AS ANTI-TUMOUR AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1991-03-13 EP claimed
WO-1989009218-A1 PLATINUM(II) COMPLEXES, THEIR PREPARATION AND USE AS ANTI-TUMOUR AGENTS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-10-05 WO claimed
EP-0415939-A1 PLATINUM(II) COMPLEXES, THEIR PREPARATION AND USE AS ANTI-TUMOUR AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1991-03-13 EP disclosed
WO-1989009218-A1 PLATINUM(II) COMPLEXES, THEIR PREPARATION AND USE AS ANTI-TUMOUR AGENTS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-10-05 WO disclosed