⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1870256 | 0.80 | — | — | |
| SCHEMBL4454206 | 0.67 | — | — | |
| SCHEMBL449059 | 0.59 | — | — | |
| Fluoride SCHEMBL28271072 | 0.47 | — | — | |
| Fluoride SCHEMBL21074152 | 0.47 | — | — | |
| Fluoride SCHEMBL27668851 | 0.47 | — | — | |
| Fluoride SCHEMBL3793483 | 0.47 | — | — | |
| Fluoride SCHEMBL31441110 | 0.47 | — | — | |
| Fluoride SCHEMBL29093769 | 0.47 | — | — | |
| Oxirane SCHEMBL8094696 | 0.45 | TTR (0.83) | — |
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 307 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118076602-A | Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses | 嘉兴优博生物技术有限公司 | 2024-05-24 | — | — | CN | claimed |
| EP-4021904-B1 | ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2024-01-03 | — | — | EP | claimed |
| CN-116925171-A | Cyclopropylmethyl steroid quaternary ammonium salt-containing compound, intermediate, preparation method and application thereof | 时森海(杭州)医药科技有限公司 | 2023-10-24 | — | — | CN | claimed |
| EP-4021904-A1 | ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES | Idorsia Pharmaceuticals Ltd (CH) | 2022-07-06 | — | — | EP | claimed |
| CN-114585619-A | alpha-D-galactopyranoside derivatives | 爱杜西亚药品有限公司 | 2022-06-03 | — | — | CN | claimed |
| WO-2022011274-A1 | SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 | GOLDFINCH BIO, INC. (US) | 2022-01-13 | — | — | WO | claimed |
| WO-2021038068-A1 | ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2021-03-04 | — | — | WO | claimed |
| US-9828548-B2 | Liquid-crystal composition | DIC CORPORATION (JP) | 2017-11-28 | — | — | US | claimed |
| US-20150259600-A1 | LIQUID-CRYSTAL COMPOSITION | DIC CORPORATION (JP) | 2015-09-17 | — | — | US | claimed |
| EP-2860236-A1 | LIQUID-CRYSTAL COMPOSITION | DIC Corporation (JP) | 2015-04-15 | — | — | EP | claimed |
| US-4889946-A | Phenoxybenzoic acid compounds and herbicidal and plant growth regulant compositions | BAYER AKTIENGESELLSCHAFT (DE) | 1989-12-26 | — | — | US | claimed |
| EP-0309043-A2 | Novel substituted N-(1-alkyl-3-hydroxy-4-piperidinyl)benzamides | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-03-29 | — | — | EP | claimed |
| EP-0195496-A2 | Use of xanthines in the treatment of proliferative skin disease | BEECHAM GROUP PLC (GB) | 1986-09-24 | — | — | EP | claimed |
| EP-0018135-B1 | XANTHINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1983-09-28 | — | — | EP | claimed |
| EP-0017478-B1 | DIALKOXY- AND DIOXACYCLOALKYL-ALKYLTHEOBROMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1983-03-30 | — | — | EP | claimed |
| EP-0018497-B1 | AZOLYLOXY-ACETAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES | BAYER AG (DE) | 1982-04-28 | — | — | EP | claimed |
| EP-0018135-A1 | Xanthine derivatives, a process for their preparation and their use in pharmaceutical compositions | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1980-10-29 | — | — | EP | claimed |
| EP-0017478-A1 | Dialkoxy- and dioxacycloalkyl-alkyltheobromines, pharmaceutical compositions containing them and their preparation | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1980-10-15 | — | — | EP | claimed |
| US-4209444-A | INHIBITORS OF AGGREGATION OR ADHESION OF THROMBOCYTES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1980-06-24 | — | — | US | claimed |
| US-3958003-A | HETEROCYCLIC COMPOUND, ANALGESICS CENTRAL NERVOUS SYSTEM DEPRESSANT | SANDOZ LTD. (CH) | 1976-05-18 | — | — | US | claimed |