SCHEMBL1161906

SCHEMBL1161906

C=CC=C/[C]=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
SCHEMBL23648014 0.88
SCHEMBL7740973 0.77
SCHEMBL23647973 0.75
SCHEMBL11290406 0.71
SCHEMBL8015287 0.71
SCHEMBL831267 0.67
SCHEMBL834791 0.65
SCHEMBL834790 0.65
SCHEMBL910459 0.62
SCHEMBL13784614 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077287-B2 Tubulysin analogs and methods of making and use BRISTOL-MYERS SQUIBB COMPANY (US) 2018-09-18 US disclosed
US-20160130299-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY 2016-05-12 US disclosed
US-9156850-B2 Enediyne compounds, conjugates thereof, and uses and methods therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-13 US disclosed
US-20140193438-A1 ENEDIYNE COMPOUNDS, CONJUGATES THEREOF, AND USES AND METHODS THEREFOR BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-10 US disclosed
US-8394922-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, INC. (US) 2013-03-12 US disclosed
US-8003687-B2 Esters of compounds in the leptomycin family KOSAN BIOSCIENCES INCORPORATED (US) 2011-08-23 US disclosed
WO-2011017249-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2011-02-10 WO disclosed
US-20110027274-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2011-02-03 US disclosed