SCHEMBL3464604

SCHEMBL3464604

NC(=O)C1C2COCC21

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
SCHEMBL4641284 1.00 — —
SCHEMBL28486706 1.00 — —
SCHEMBL16038541 1.00 — —
SCHEMBL30148870 0.84 — —
SCHEMBL5135807 0.74 — —
SCHEMBL1584181 0.74 — —
SCHEMBL14630769 0.74 — —
SCHEMBL1583972 0.74 — —
SCHEMBL1583863 0.74 — —
SCHEMBL2685140 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4551295-A1 MACROCYCLE COMPOUNDS USEFUL AS KRAS INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-05-14 — — EP claimed
US-12247036-B2 Tricyclic compounds for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2025-03-11 — — US claimed
CN-119546613-A Macrocyclic compounds useful as KRAS inhibitors 豪夫迈·罗氏有限公司 2025-02-28 — — CN claimed
US-20240417410-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-12-19 — — US claimed
EP-4469164-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2024169914-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-08-22 — — WO claimed
WO-2024008834-A1 MACROCYCLE COMPOUNDS USEFUL AS KRAS INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-01-11 — — WO claimed
CN-116390727-A N-linked isoquinolinamides as LRRK2 inhibitors, pharmaceutical compositions and uses thereof 默沙东有限责任公司 2023-07-04 — — CN claimed
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 — — EP claimed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 — — US claimed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 — — US claimed
EP-4720072-A2 RAS INHIBITORS Revolution Medicines, Inc. (US) 2026-04-08 — — EP disclosed
US-20260078133-A1 RAS INHIBITORS Revolution Medicines, Inc. 2026-03-19 — — US disclosed
US-12516039-B2 N-linked isoquinoline amides as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2026-01-06 — — US disclosed
EP-4653438-A1 MACROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2025-11-26 — — EP disclosed
EP-1948654-A1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2008-07-30 — — EP disclosed
US-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors NOVARTIS AG (CH) 2008-07-24 — — US disclosed
EP-1856032-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-11-21 — — EP disclosed
WO-2007031558-A1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 — — WO disclosed
WO-2006095020-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-09-14 — — WO disclosed
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