SCHEMBL339130

SCHEMBL339130

[Li]c1cc(C)cc(C)c1

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
Boric Acid SCHEMBL27898712 0.87 ALDH1A1 (0.45)
Boric Acid SCHEMBL27723418 0.87 ALDH1A1 (0.45)
SCHEMBL3601402 0.78
SCHEMBL26115 0.78
SCHEMBL341533 0.78 ALDH1A1 (0.67)
SCHEMBL23202757 0.74 ALDH1A1 (0.61)
SCHEMBL25403949 0.74 ALDH1A1 (0.61)
SCHEMBL432597 0.74 ALDH1A1 (0.61)
SCHEMBL25401798 0.74 ALDH1A1 (0.61)
Hydrochloric Acid SCHEMBL2443762 0.74 ALDH1A1 (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848668-A Pyridinylamino IVB group binuclear metal complex and preparation and application thereof 万华化学集团股份有限公司 2020-10-30 CN claimed
CN-100562532-C Dual metallocene catalyst for producing film resins with excellent Machine Direction (MD) Elmendorf tear strength CHEVRON PHILLIPS CHEMICAL CO (US) 2009-11-25 CN claimed
CN-116178455-B Preparation method of ferrocene chiral phosphine ligand 江苏欣诺科催化剂股份有限公司 2023-08-18 CN disclosed
CN-116178455-A Preparation method of ferrocene chiral phosphine ligand 江苏欣诺科催化剂股份有限公司 2023-05-30 CN disclosed
CN-111848668-B Pyridinylamino IVB group binuclear metal complex and preparation and application thereof 万华化学集团股份有限公司 2023-03-03 CN disclosed
CN-111848668-A Pyridinylamino IVB group binuclear metal complex and preparation and application thereof 万华化学集团股份有限公司 2020-10-30 CN disclosed
CN-110536910-A Contain Low-valent Titanium-aluminium complex antigravity system and the polymer produced by it CHEVRON PHILLIPS CHEMICAL CO LP 2019-12-03 CN disclosed
CN-106459281-B For producing the dual catalytic agent system of the polymer with wider molecular weight distribution and uniform short chain branch distribution 切弗朗菲利浦化学公司 2019-08-20 CN disclosed
CN-104371050-B The metallocene of sub- cyclobutyl bridging and antigravity system comprising it 切弗朗菲利浦化学公司 2019-02-19 CN disclosed
CN-109153750-A Prepare the low pressure method of low density polyethylene (LDPE) 切弗朗菲利浦化学公司 2019-01-04 CN disclosed
CN-103819587-B The sandwich dual catalyst system of metallocene and half for producing broad molecular weight distribution polymers 切弗朗菲利浦化学公司 2018-07-17 CN disclosed
EP-0931786-A2 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities Vision Pharmaceuticals L.P. (US) 1999-07-28 EP disclosed
WO-1999033821-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY ALLERGAN SALES, INC. (US) 1999-07-08 WO disclosed
CN-1209802-A Synthesis and use of retinoid having negative hormone and/or antagonist activity ALLERGAN CO (US) 1999-03-03 CN disclosed
US-5877207-A SKIN DISORDERS; ANTICARCINOGENIC AGENTS ALLERGAN SALES, INC. (US) 1999-03-02 US disclosed
WO-1998058922-A1 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES ALLERGAN SALES, INC. (US) 1998-12-30 WO disclosed
US-5776699-A MEASURING GENE EXPRESSION ALLERGAN, INC. (US) 1998-07-07 US disclosed
EP-0024943-B1 5,6,7-TRINOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TORAY INDUSTRIES, INC. (JP) 1983-08-17 EP disclosed
US-4301164-A FOR USE AS ANTIULCER AGENTS, HYPOTENSIVE AGENTS, ANTITHROMBOSIC AGENTS TORAY INDUSTRIES, INC. (JP) 1981-11-17 US disclosed
EP-0024943-A1 5,6,7-Trinor-4,8-inter-m-phenylene PGI2 derivatives and pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1981-03-11 EP disclosed