SCHEMBL876240

SCHEMBL876240

CC(=O)n1ccnn1

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
SCHEMBL166053 0.83 FOLH1 (0.32)
SCHEMBL9429575 0.81
SCHEMBL3903544 0.79
SCHEMBL253526 0.79
SCHEMBL7008079 0.77
Ammonia Solution, Strong SCHEMBL6511571 0.77
SCHEMBL446215 0.77
SCHEMBL27718183 0.77
SCHEMBL6781632 0.77
SCHEMBL14833404 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

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116253743-B (+) -Paeovaitol derivative, pharmaceutical composition thereof, preparation method and application thereof 中国科学院昆明植物研究所 2024-02-06 CN claimed
CN-116253743-A (+) -Paeovaitol derivative, pharmaceutical composition thereof, preparation method and application thereof 中国科学院昆明植物研究所 2023-06-13 CN claimed
CN-113396197-A Compositions and methods for chemical mechanical polishing of copper barriers CMC材料股份有限公司 2021-09-14 CN claimed
CN-113166588-A Compositions and methods for cobalt chemical mechanical polishing CMC材料股份有限公司 2021-07-23 CN claimed
EP-1867320-A2 Brightening and/or dyeing agent based on azolides Henkel Kommanditgesellschaft auf Aktien (DE) 2007-12-19 EP claimed
EP-0458932-A1 METHOD FOR THE SYNTHESIS OF SEMI-SYNTHETIC ANTIBIOTICS IN THERMODYNAMICALLY CONTROLLED WATER-COSOLVENT ORGANIC MISCIBLE APOLAR SYSTEMS BY USING PENICILLIN G ACYLASE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 1991-12-04 EP claimed
WO-1991009136-A1 METHOD FOR THE SYNTHESIS OF SEMI-SYNTHETIC ANTIBIOTICS IN THERMODYNAMICALLY CONTROLLED WATER-COSOLVENT ORGANIC MISCIBLE APOLAR SYSTEMS BY USING PENICILLIN G ACYLASE CONSEJO SUPERIOR INVESTIGACIONES CIENTIFICAS (ES) 1991-06-27 WO claimed
CN-116253743-B (+) -Paeovaitol derivative, pharmaceutical composition thereof, preparation method and application thereof 中国科学院昆明植物研究所 2024-02-06 CN disclosed
CN-116253743-A (+) -Paeovaitol derivative, pharmaceutical composition thereof, preparation method and application thereof 中国科学院昆明植物研究所 2023-06-13 CN disclosed
CN-115677472-A Synthetic method of drug intermediate and application of drug intermediate in synthesis of chlorofluoromethrin 辽宁大学 2023-02-03 CN disclosed
CN-113166587-B Compositions and methods for chemical mechanical polishing of metals CMC材料股份有限公司 2022-05-17 CN disclosed
CN-113396197-A Compositions and methods for chemical mechanical polishing of copper barriers CMC材料股份有限公司 2021-09-14 CN disclosed
CN-113166587-A Compositions and methods for chemical mechanical polishing of metals CMC材料股份有限公司 2021-07-23 CN disclosed
US-6159969-A Uracil derivatives, and antitumor effect potentiator and antitumor agent containing the same TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-12 US disclosed
EP-0884051-A1 CANCEROUS METASTASIS INHIBITORS CONTAINING URACIL DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1998-12-16 EP disclosed
US-5744475-A 4-N-HET-METHYLURACIL DERIVATIVES; THYMIDINE PHOSPHORYLASE INHIBITORS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-04-28 US disclosed
EP-0763529-A1 URACIL DERIVATIVES, AND ANTITUMOR EFFECT POTENTIATOR AND ANTITUMOR AGENT CONTAINING THE SAME TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1997-03-19 EP disclosed
US-4127587-A ANTIINFLAMMATORY, ANTHELMINTIC E. R. SQUIBB & SONS, INC. (US) 1978-11-28 US disclosed
US-4093728-A ANTIINFLAMMATORY AGENTS, ANTHELMINTICS E. R. SQUIBB & SONS, INC. (US) 1978-06-06 US disclosed
US-4076823-A ANTIINFLAMMATORY, MUSCLE RELAXANT, ANXIOLYTIC, SEDATIVES E. R. SQUIBB & SONS, INC. (US) 1978-02-28 US disclosed