SCHEMBL17005992

SCHEMBL17005992

CC(C)P(c1nc(C(C)(C)C)c[nH]1)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
SCHEMBL3704219 0.69
SCHEMBL15080607 0.67 KDM4E (0.33)
SCHEMBL27941001 0.67
SCHEMBL21719668 0.66 HRH4 (0.31)
SCHEMBL179502 0.66
SCHEMBL23124173 0.65 HMGCR (0.31)
SCHEMBL21719661 0.64
SCHEMBL5067990 0.64 HSD17B10 (0.35)
SCHEMBL21719663 0.64
SCHEMBL9604217 0.64

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
US-20250223253-A1 SITE-SPECIFIC ISOTOPIC LABELING OF 1,4-DIENE SYSTEMS BIOJIVA LLC (US) 2025-07-10 US disclosed
US-12060324-B2 Site-specific isotopic labeling of 1,4-diene systems BIOJIVA LLC (US) 2024-08-13 US disclosed
US-20240091752-A1 PROCESSES FOR ISOTOPIC MODIFICATION OF POLYUNSATURATED FATTY ACIDS AND DERIVATIVES THEREOF BIOJIVA LLC (US) 2024-03-21 US disclosed
US-20240018085-A1 SITE-SPECIFIC ISOTOPIC LABELING OF 1,4-DIENE SYSTEMS BIOJIVA LLC 2024-01-18 US disclosed
US-11779910-B2 Processes for isotopic modification of polyunsaturated fatty acids and derivatives thereof BIOJIVA LLC (US) 2023-10-10 US disclosed
EP-4107163-A1 PROCESSES FOR ISOTOPIC MODIFICATION OF POLYUNSATURATED FATTY ACIDS AND DERIVATIVES THEREOF Retrotope, Inc. (US) 2022-12-28 EP disclosed
US-11453637-B2 Site-specific isotopic labeling of 1,4-diene systems RETROTOPE, INC. (US) 2022-09-27 US disclosed
US-11447441-B2 Site-specific isotopic labeling of 1,4-diene systems RETROTOPE, INC. (US) 2022-09-20 US disclosed
EP-3950649-A1 SITE-SPECIFIC ISOTOPIC LABELING OF 1, 4-DIENE SYSTEMS Retrotope, Inc. (US) 2022-02-09 EP disclosed
US-20210387938-A1 SITE-SPECIFIC ISOTOPIC LABELING OF 1,4-DIENE SYSTEMS RETROTOPE, INC. 2021-12-16 US disclosed
EP-3380452-B1 SITE-SPECIFIC ISOTOPIC LABELING OF 1, 4-DIENE SYSTEMS RETROTOPE INC (US) 2021-03-24 EP disclosed
US-10730821-B2 Site-specific isotopic labeling of 1,4-diene systems RETROTOPE, INC. (US) 2020-08-04 US disclosed
US-20200109103-A1 SITE-SPECIFIC ISOTOPIC LABELING OF 1,4-DIENE SYSTEMS BIOJIVA LLC 2020-04-09 US disclosed
US-10577304-B2 Site-specific isotopic labeling of 1,4-diene systems RETROTOPE, INC. (US) 2020-03-03 US disclosed
US-20190084913-A1 SITE-SPECIFIC ISOTOPIC LABELING OF 1,4-DIENE SYSTEMS BIOJIVA LLC 2019-03-21 US disclosed
US-20180339958-A1 SITE-SPECIFIC ISOTOPIC LABELING OF 1,4-DIENE SYSTEMS BIOJIVA LLC 2018-11-29 US disclosed
EP-3380452-A1 SITE-SPECIFIC ISOTOPIC LABELING OF 1, 4-DIENE SYSTEMS Retrotope, Inc. (US) 2018-10-03 EP disclosed
US-9708236-B2 Terminal alkene monoisomerization catalysts and methods SAN DIEGO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2017-07-18 US disclosed
WO-2017091279-A1 SITE-SPECIFIC ISOTOPIC LABELING OF 1, 4-DIENE SYSTEMS RETROTOPE, INC. (US) 2017-06-01 WO disclosed
US-20150231621-A1 TERMINAL ALKENE MONOISOMERIZATION CATALYSTS AND METHODS SAN DIEGO STATE UNIVERSITY RESEARCH FOUNDATION 2015-08-20 US disclosed