SCHEMBL999913

SCHEMBL999913

C=CCC=CC=CC

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
SCHEMBL999912 1.00
SCHEMBL28162925 0.97 ALDH1A1 (0.35)
SCHEMBL27760428 0.97
SCHEMBL27583115 0.97 ALDH1A1 (0.35)
SCHEMBL15548152 0.90
Pyrrole SCHEMBL27975210 0.88
Pyrrole SCHEMBL27742686 0.86
SCHEMBL19736143 0.84 TSHR (0.31)
Pyrrole SCHEMBL27763241 0.81
SCHEMBL6200895 0.81 ALDH1A1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4316034-A ISOCYANATE PRECURSOR IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-02-16 US claimed
CN-118201905-A Cationic lipid 武田药品工业株式会社 2024-06-14 CN disclosed
EP-4056604-B1 METHOD FOR PRODUCING COPOLYMER OF 1,3,7-OCTATRIENE AND STYRENE KURARAY CO (JP) 2023-08-02 EP disclosed
EP-3564280-B1 COPOLYMER OF 1, 3, 7-OCTATRIENE AND STYRENE AND HYDRIDE THEREOF KURARAY CO (JP) 2023-07-26 EP disclosed
WO-2023085299-A1 CATIONIC LIPID 武田薬品工業株式会社 2023-05-19 WO disclosed
EP-4163311-A1 COPOLYMER OF 1,3,7-OCTATRIENE AND ISOPRENE, HYDRIDE THEREOF, AND METHOD FOR PRODUCING SAID COPOLYMER Kuraray Co., Ltd. (JP) 2023-04-12 EP disclosed
EP-4163312-A1 COPOLYMER OF 1,3,7-OCTATRIENE AND ISOPRENE, HYDRIDE THEREOF, AND METHOD FOR PRODUCING SAID COPOLYMER Kuraray Co., Ltd. (JP) 2023-04-12 EP disclosed
EP-3564274-B1 1, 3, 7-OCTATRIENE POLYMER, HYDRIDE THEREOF, AND METHOD FOR PRODUCING SAID POLYMER KURARAY CO (JP) 2022-12-28 EP disclosed
EP-4056604-A1 METHOD FOR PRODUCING COPOLYMER OF 1,3,7-OCTATRIENE AND STYRENE Kuraray Co., Ltd. (JP) 2022-09-14 EP disclosed
US-11332567-B2 Copolymer of 1, 3, 7-octatriene and butadiene, hydride thereof, and method for producing said copolymer KURARAY CO., LTD. (JP) 2022-05-17 US disclosed
CN-1088944-A Be used to prepare lubricant dispersant additives by ethene and 1-butylene derived polymers EXXON CHEMICAL PATENTS INC (US) 1994-07-06 CN disclosed
EP-0570594-A1 HYDROXAMIC ACID DERIVATIVE BASED ON AROMATIC SULFONAMIDE SHIONOGI & CO., LTD. (JP) 1993-11-24 EP disclosed
EP-0042589-B1 NORBORNENE POLYMERS STABILIZED WITH HINDERED AROMATIC ALCOHOLS The B.F. GOODRICH Company (US) 1985-06-19 EP disclosed
EP-0048439-B1 NORBORNENE POLYMERS CONTAINING BOUND ANTIOXIDANT The B.F. GOODRICH Company (US) 1985-03-27 EP disclosed
US-4355148-A POLYALKENAMERS THE B. F. GOODRICH COMPANY (US) 1982-10-19 US disclosed
US-4324717-A OXIDATION RESISTANCE THE B. F. GOODRICH COMPANY (US) 1982-04-13 US disclosed
EP-0048439-A1 Norbornene polymers containing bound antioxidant The B.F. GOODRICH Company (US) 1982-03-31 EP disclosed
EP-0042589-A1 Norbornene polymers stabilized with hindered aromatic alcohols The B.F. GOODRICH Company (US) 1981-12-30 EP disclosed
US-4138448-A CATALYST MIXTURE COMPRISING AN ORGANOALUMINUM HALIDE AND A TUNGSTEN OR MOLYBDENUM SALT THE B. F. GOODRICH COMPANY (US) 1979-02-06 US disclosed
US-3969470-A Process for recycling hydrogen when making blends of olefin copolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-07-13 US disclosed