SCHEMBL3246359

SCHEMBL3246359

CCNCC(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
Hydrochloric Acid SCHEMBL4019292 0.97
SCHEMBL112567 0.81 TSHR (0.36)
SCHEMBL11509107 0.79 TP53 (0.47)
Hydrochloric Acid SCHEMBL4316309 0.77 TSHR (0.33)
Fluoride SCHEMBL22032650 0.77 TSHR (0.33)
Hydrochloric Acid SCHEMBL4662388 0.77 TSHR (0.33)
SCHEMBL24920832 0.76 TP53 (0.37)
SCHEMBL22694123 0.76 TP53 (0.37)
SCHEMBL22247230 0.74 TSHR (0.31)
SCHEMBL13246677 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621867-B1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-07 EP claimed
US-5538950-A PEPTIDE DERIVATIVES AS HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-23 US claimed
EP-0621867-A1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP claimed
WO-1993010144-A1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-27 WO claimed
CN-120127223-A Electrolyte and silicon-based lithium ion battery 湖北亿纬动力有限公司 2025-06-10 CN disclosed
US-12018267-B2 Plants having increased tolerance to herbicides BASF SE (DE) 2024-06-25 US disclosed
US-11992012-B2 Diaminotriazine compounds BASF SE (DE) 2024-05-28 US disclosed
EP-4370505-A1 HERBICIDAL PHENYLURACILS BASF SE (DE) 2024-05-22 EP disclosed
US-11965171-B2 Plants having increased tolerance to herbicides BASF SE (DE) 2024-04-23 US disclosed
US-11939587-B2 Plants having increased tolerance to herbicides BASF SE (DE) 2024-03-26 US disclosed
CN-117751102-A Herbicidal phenyluracils 巴斯夫欧洲公司 2024-03-22 CN disclosed
CN-117143092-A Benzothiazole compound and synthesis and application thereof 西北农林科技大学 2023-12-01 CN disclosed
WO-2000075095-A1 METHOD FOR PRODUCING 2,2,4,4-TETRA-SUBSTITUTED 1,3,5-CYCLOHEXANETRIONES BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed
US-6087324-A A WATER-INSOLUBLE OR A SLIGHTLY WATER-SOLUBLE POLYVALENT METAL SALT OF A WATER-SOLUBLE PHYSIOGICALLY ACTIVE PEPTIDE WHICH IS NOT AN ENDOTHELIN ANTAGONIST, AND A BIODEGRADABLE POLYMER SUCH AS COPOLYMER OF GLYCOLIC AND LACTIC ACID TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
EP-0621867-B1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-07 EP disclosed
US-5538950-A PEPTIDE DERIVATIVES AS HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-23 US disclosed
CN-1109780-A Sustained-release preparation of anti-endothelin substance TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-10-11 CN disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP disclosed
EP-0621867-A1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed
WO-1993010144-A1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-27 WO disclosed