SCHEMBL104541

SCHEMBL104541

CC(C)c1cncnc1

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
Ammonia Solution, Strong SCHEMBL8863481 0.97 CYP19A1 (0.39)
SCHEMBL8864046 0.85 CYP19A1 (0.34)
SCHEMBL12925977 0.78 ATM (0.33)
SCHEMBL19756421 0.78 PRMT5 (0.40)
SCHEMBL23119198 0.77 CYP19A1 (0.38)
SCHEMBL13863261 0.77
SCHEMBL4313822 0.77
SCHEMBL24683919 0.77
SCHEMBL8657854 0.77
SCHEMBL8282844 0.77

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

Appears in 2041 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116924976-A Diaryl heterocyclic amine compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-10-24 CN claimed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240239759-A1 ISOXAZOLINE COMPOSITIONS AND THEIR USE AS ANTIPARASITICS INTERVET INC. (US) 2024-07-18 US disclosed
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-20240239759-A1 ISOXAZOLINE COMPOSITIONS AND THEIR USE AS ANTIPARASITICS INTERVET INC. (US) 2024-07-18 US disclosed
US-20240239811-A1 5-(5-(PIPERIDIN-4-YL)THIENO[3,2-C]PYRAZOL-2-YL]INDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE T REMIX THERAPEUTICS INC. 2024-07-18 US disclosed
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 WO disclosed
US-20240239835-A9 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240239835-A9 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. 2024-07-18 US disclosed
US-7157492-B2 Dibenzo chromene derivatives and their use as ERβ selective ligands WYETH (US) 2007-01-02 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 US disclosed
US-20060281763-A1 Carboxamide inhibitors of TGFbeta SCIOS INC. 2006-12-14 US disclosed
WO-2006105222-A2 CARBOXAMIDE INHIBITORS OF TGFB SCIOS INC. (US) 2006-10-05 WO disclosed
EP-0212822-A1 A composition containing a plant growth regulator and an alkanol and a method of using the same ICI AMERICAS INC. (US) 1987-03-04 EP disclosed
US-4194899-A HERBICIDES, FUNGICIDES, PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1980-03-25 US disclosed
US-4110099-A INHIBITOR FOR INTERNODEL GROWTH OF PLANTS ELI LILLY AND COMPANY (US) 1978-08-29 US disclosed
US-RE29367-E HERBICIDES, FUNGICIDES, 5-PYRIMIDINYL ELI LILLY AND COMPANY (US) 1977-08-23 US disclosed
US-4002628-A HERBICIDES, PLANT FUNGICIDES, PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1977-01-11 US disclosed
US-3967949-A Fluoroalkoxyphenyl-substituted nitrogen heterocycles as plant stunting agents ELI LILLY AND COMPANY (US) 1976-07-06 US disclosed