SCHEMBL3122863

SCHEMBL3122863

NC[CH]CCCCN

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
SCHEMBL4044147 0.90
SCHEMBL7582358 0.83 DNM1 (0.57)
SCHEMBL7373662 0.83 NFKB1 (0.50)
SCHEMBL8672908 0.83 DNM1 (0.57)
SCHEMBL10585256 0.83 DNM1 (0.57)
SCHEMBL8602344 0.83 DNM1 (0.57)
SCHEMBL6545426 0.83 DNM1 (0.57)
SCHEMBL8670580 0.83 DNM1 (0.57)
SCHEMBL10454647 0.75
SCHEMBL3862131 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2112154-B1 Esters in position 20 of camptothecins SIGMA TAU IND FARMACEUTI (IT) 2013-07-24 EP disclosed
EP-1511752-B3 CAMPTOTHECINS WITH A MODIFIED LACTONE RING SIGMA TAU IND FARMACEUTI (IT) 2010-03-10 EP disclosed
EP-2112154-A1 Esters in position 20 of camptothecins SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-10-28 EP disclosed
EP-1509529-B1 ESTERS IN POSITION 20 OF CAMPTOTHECINS SIGMA TAU IND FARMACEUTI (IT) 2009-08-12 EP disclosed
US-7498340-B2 Esters in position 20 of camptothecins SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-03-03 US disclosed
US-7452900-B2 Esters in position 20 of camptothecins SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-11-18 US disclosed
EP-1719775-B1 Camptothecins with a modified lactone ring SIGMA TAU IND FARMACEUTI (IT) 2008-08-06 EP disclosed
US-7273873-B2 Camptothecins with a modified lactone ring SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-09-25 US disclosed
US-20070213353-A1 Esters in position 20 of camptothecins SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A., (IT) 2007-09-13 US disclosed
EP-1511752-B8 CAMPTOTHECINS WITH A MODIFIED LACTONE RING SIGMA TAU IND FARMACEUTI (IT) 2007-04-18 EP disclosed
EP-1719775-A1 Camptothecins with a modified lactone ring Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2006-11-08 EP disclosed
EP-1511752-B1 CAMPTOTHECINS WITH A MODIFIED LACTONE RING SIGMA TAU IND FARMACEUTI (IT) 2006-09-13 EP disclosed
US-20050256148-A1 Esters in position 20 of camptothecins SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-11-17 US disclosed
US-20050154003-A1 Camptothecins with a modified lactone ring ISTITUTO NAZIONALE PER LO STUDIO E LA CURA DEI TUMORI (IT) 2005-07-14 US disclosed
EP-1511752-A2 CAMPTOTHECINS WITH A MODIFIED LACTONE RING SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2005-03-09 EP disclosed
EP-1509529-A2 ESTERS IN POSITION 20 OF CAMPTOTHECINS Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2005-03-02 EP disclosed
WO-2003101996-A2 ESTERS IN POSITION 20 OF CAMPTOTHECINS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A (IT) 2003-12-11 WO disclosed
WO-2003101995-A2 CAMPTOTHECINS WITH A MODIFIED LACTONE RING SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-12-11 WO disclosed