SCHEMBL1676712

SCHEMBL1676712

CN[C@H]([C]=O)C(C)C

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
SCHEMBL1676710 1.00
SCHEMBL6852724 1.00
SCHEMBL6650352 0.77
SCHEMBL6650354 0.77
SCHEMBL1676681 0.73
SCHEMBL6852863 0.73
SCHEMBL5312610 0.73
SCHEMBL9100792 0.73
SCHEMBL6852866 0.73
SCHEMBL1676683 0.73

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 195 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-02-21 US claimed
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 US claimed
JP-4508413-B2 2010-07-21 JP claimed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US claimed
US-7662786-B2 oligopeptides; anticarcinogenic agent; good water solubility and cost effective; , B, D, E, F, G and K are alpha -amino acid residues, and s and r are each, independently, 0 or 1. L is a monovalent radical, such as,an amino group, an N-substituted amino group, a beta -hydroxylamino group, an alkoxy group ABBOTT GMBH & CO. KG (DE) 2010-02-16 US claimed
US-20090270390-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA (SE) 2009-10-29 US claimed
US-20090233926-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA (SE) 2009-09-17 US claimed
EP-2064203-A1 2-BENZIMIDAZ0LYL-6-M0RPH0LIN0-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-06-03 EP claimed
WO-2008032072-A1 2-BENZIMIDAZ0LYL-6-M0RPH0LIN0-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO claimed
US-20080071062-A1 TETRA-, PENTA-, HEXA- AND HEPTAPEPTIDES HAVING ANTIANGIOGENIC ACTIVITY HAVIV FORTUNA 2008-03-20 US claimed
EP-0871656-A1 NOVEL DOLASTATIN DERIVATIVES, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1998-10-21 EP claimed
EP-0866800-A2 ANTINEOPLASTIC PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 1998-09-30 EP claimed
WO-1998040092-A1 DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES BASF AKTIENGESELLSCHAFT (DE) 1998-09-17 WO claimed
WO-1998040400-A1 DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS BASF AKTIENGESELLSCHAFT (DE) 1998-09-17 WO claimed
EP-0832104-A1 NOVEL DOLASTATIN DERIVATIVES, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1998-04-01 EP claimed
WO-1997022621-A2 ANTINEOPLASTIC PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 1997-06-26 WO claimed
WO-1996040752-A1 NOVEL DOLASTATIN DERIVATIVES, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1996-12-19 WO claimed
WO-1996040751-A1 NOVEL DOLASTATIN DERIVATIVES, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1996-12-19 WO claimed
US-4885276-A IMMUNOSUPPRESSIVE AGENTS WITH DECREASED TOXICITY MERCK & CO., INC. (US) 1989-12-05 US claimed
US-4798823-A IMMUNOSUPPRESSIVE AGENTS MERCK & CO., INC. (US) 1989-01-17 US claimed