SCHEMBL928125

SCHEMBL928125

N#C[C]1C=CC=CN1

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
SCHEMBL15286437 0.74 — —
SCHEMBL18543641 0.74 — —
SCHEMBL1607215 0.69 — —
Water SCHEMBL27523845 0.62 — —
Water SCHEMBL27522886 0.62 — —
SCHEMBL20340098 0.62 — —
SCHEMBL18691332 0.61 — —
SCHEMBL9705461 0.60 — —
Benzene SCHEMBL28299969 0.59 — —
SCHEMBL730714 0.58 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121517-A Triazole derivative and preparation method and application thereof 中山大学 2021-07-16 — — CN claimed
EP-0289430-B1 SWEETENERS DERIVED FROM GUANIDINOACETIC AND ETHANAMIDINOACETIC ACIDS, THEIR USES AND COMPOSITIONS CONTAINING THESE SWEETENERS UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1992-04-08 — — EP claimed
EP-0289430-A1 Sweeteners derived from guanidinoacetic and ethanamidinoacetic acids, their uses and compositions containing these sweeteners UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1988-11-02 — — EP claimed
US-4363808-A N-(3-Phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1982-12-14 — — US claimed
EP-0034116-A2 N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1981-08-19 — — EP claimed
CN-117924246-A Pi conjugated compound, organic electroluminescent element material, luminescent thin film, organic electroluminescent element, display device, and lighting device 默克专利有限公司 2024-04-26 — — CN disclosed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 — — WO disclosed
US-20230295490-A1 LIGHT-EMITTING NANOPARTICLES AND LIGHT-EMITTING LABELING MATERIAL FOR PATHOLOGICAL DIAGNOSIS Konica Minolta, Inc. (JP) 2023-09-21 — — US disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 — — WO disclosed
US-11358951-B2 Π(PI)-conjugated compound, organic electroluminescence element material, light-emitting material, light-emitting thin film, organic electroluminescence element, display device, and illumination device MERCK PATENT GMBH (DE) 2022-06-14 — — US disclosed
WO-2021261398-A1 LIGHT-EMITTING NANOPARTICLES AND LIGHT-EMITTING LABELING MATERIAL FOR PATHOLOGICAL DIAGNOSIS コニカミノルタ株式会社 2021-12-30 — — WO disclosed
CN-113121517-A Triazole derivative and preparation method and application thereof 中山大学 2021-07-16 — — CN disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 — — US disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 — — EP disclosed
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 — — US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 — — EP disclosed
EP-0289430-B1 SWEETENERS DERIVED FROM GUANIDINOACETIC AND ETHANAMIDINOACETIC ACIDS, THEIR USES AND COMPOSITIONS CONTAINING THESE SWEETENERS UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1992-04-08 — — EP disclosed
US-4849527-A HETEROCYCLIC SUBSTITUTED UREA DERIVATIVE BRISTOL-MYERS COMPANY (US) 1989-07-18 — — US disclosed
EP-0289430-A1 Sweeteners derived from guanidinoacetic and ethanamidinoacetic acids, their uses and compositions containing these sweeteners UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1988-11-02 — — EP disclosed
US-4463176-A REGENERATION OF SEPARATED CHIRAL ISOCYANATE-TREATED ADRENERGIC BLOCKING AGENTS USING HYDRAZINE HYDRATE AND A KETO ACID MEAD JOHNSON & COMPANY (US) 1984-07-31 — — US disclosed
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