SCHEMBL1828790

SCHEMBL1828790

C=C[CH]C(C)(C)CC(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
SCHEMBL9080852 0.75
SCHEMBL249929 0.73
SCHEMBL11233621 0.69
SCHEMBL11059098 0.67
SCHEMBL9052170 0.67
SCHEMBL9858332 0.65
SCHEMBL23181655 0.65
SCHEMBL11664608 0.64 TSHR (0.37)
SCHEMBL186153 0.63
SCHEMBL21547583 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140024777-A1 Ophthalmic And Otorhinolaryngological Device Materials Containing An Alkylphenol Ethoxylate NOVARTIS AG (CH) 2014-01-23 US claimed
US-8574292-B2 Ophthalmic and otorhinolaryngological device materials containing an alkylphenol ethoxylate NOVARTIS AG (CH) 2013-11-05 US claimed
EP-2192931-B1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS CONTAINING AN ALKYLPHENOL ETHOXYLATE ALCON INC (CH) 2011-05-04 EP claimed
EP-2192931-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS CONTAINING AN ALKYLPHENOL ETHOXYLATE Alcon, Inc. (CH) 2010-06-09 EP claimed
WO-2009046055-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS CONTAINING AN ALKYLPHENOL ETHOXYLATE ALCON, INC. (CH) 2009-04-09 WO claimed
US-20090088493-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS CONTAINING AN ALKYLPHENOL ETHOXYLATE ALCON, INC. (CH) 2009-04-02 US claimed
US-20140024777-A1 Ophthalmic And Otorhinolaryngological Device Materials Containing An Alkylphenol Ethoxylate NOVARTIS AG (CH) 2014-01-23 US disclosed
US-8574292-B2 Ophthalmic and otorhinolaryngological device materials containing an alkylphenol ethoxylate NOVARTIS AG (CH) 2013-11-05 US disclosed
EP-2192931-B1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS CONTAINING AN ALKYLPHENOL ETHOXYLATE ALCON INC (CH) 2011-05-04 EP disclosed
US-7858672-B1 Methacrylic materials suitable for ophthalmic and otorhinolaryngological devices ALCON, INC. (CH) 2010-12-28 US disclosed
EP-2192931-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS CONTAINING AN ALKYLPHENOL ETHOXYLATE Alcon, Inc. (CH) 2010-06-09 EP disclosed
WO-2009046055-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS CONTAINING AN ALKYLPHENOL ETHOXYLATE ALCON, INC. (CH) 2009-04-09 WO disclosed
US-20090088493-A1 OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS CONTAINING AN ALKYLPHENOL ETHOXYLATE ALCON, INC. (CH) 2009-04-02 US disclosed