SCHEMBL1985994

SCHEMBL1985994

CCC1[CH]C(C)CCC1

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
SCHEMBL17310001 0.84
SCHEMBL1713980 0.84
SCHEMBL5574167 0.74
SCHEMBL5572832 0.74
SCHEMBL265599 0.74
SCHEMBL910947 0.73
SCHEMBL21048243 0.72
SCHEMBL11039687 0.70 CYP1A2 (0.41)
SCHEMBL10584647 0.68
SCHEMBL14109379 0.66 GAA (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416943-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2020-04-01 EP claimed
US-10343971-B2 Crotonates having use in perfumery GIVAUDAN SA (CH) 2019-07-09 US claimed
US-4517379-A ARTIFICIAL SWEETENER PFIZER INC. (US) 1985-05-14 US claimed
EP-3416943-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2020-04-01 EP disclosed
US-10343971-B2 Crotonates having use in perfumery GIVAUDAN SA (CH) 2019-07-09 US disclosed
US-20190023643-A1 Organic Compounds GIVAUDAN SA (CH) 2019-01-24 US disclosed
US-20140018377-A1 Aminopropenoates as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-16 US disclosed
US-8476197-B2 Aminopropenoates as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
US-20110152322-A1 Aminopropenoates as Fungicides BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
US-4894464-A ARTIFICIAL SWEETENERS PFIZER INC. (US) 1990-01-16 US disclosed
US-4855454-A CHEMICAL INTERMEDIATES; SWEETENERS PFIZER INC. (US) 1989-08-08 US disclosed
US-4517379-A ARTIFICIAL SWEETENER PFIZER INC. (US) 1985-05-14 US disclosed
EP-0069811-B1 BRANCHED AMIDES OF L-ASPARTYL-D-AMINO ACID DIPEPTIDES AND COMPOSITIONS THEREOF PFIZER INC. (US) 1984-10-24 EP disclosed
EP-0034876-B1 BRANCHED AMIDES OF L-ASPARTYL-D-AMINO ACID DIPEPTIDES AND COMPOSITIONS THEREOF PFIZER INC. (US) 1984-08-29 EP disclosed
US-4454328-A SWEETENERS PFIZER INC. (US) 1984-06-12 US disclosed
US-4411925-A STABLE SWEETENERS PFIZER INC. (US) 1983-10-25 US disclosed
US-4399163-A ARTIFICIAL SWEETENERS PFIZER INC. (US) 1983-08-16 US disclosed
EP-0069811-A1 Branched amides of L-aspartyl-D-amino acid dipeptides and compositions thereof PFIZER INC. (US) 1983-01-19 EP disclosed
EP-0034876-A2 Branched amides of L-aspartyl-D-amino acid dipeptides and compositions thereof PFIZER INC. (US) 1981-09-02 EP disclosed
US-4220571-A Thermoplastic polyolefin composition and process for stabilizing polyolefins CIBA-GEIGY CORPORATION (US) 1980-09-02 US disclosed