⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6042969 | 0.79 | GABRA1 (0.42) | — | |
| SCHEMBL1696970 | 0.78 | HSPA5 (0.38) | — | |
| Hydrochloric Acid SCHEMBL4315306 | 0.78 | IDO1 (0.54) | — | |
| SCHEMBL29351396 | 0.77 | TAAR1 (0.71) | — | |
| SCHEMBL29930048 | 0.77 | TAAR1 (0.64) | — | |
| SCHEMBL8703610 | 0.77 | TAAR1 (0.64) | — | |
| SCHEMBL6738136 | 0.77 | TAAR1 (0.71) | — | |
| Hydrochloric Acid SCHEMBL667683 | 0.76 | TAAR1 (0.62) | — | |
| SCHEMBL2290496 | 0.74 | — | — | |
| SCHEMBL217088 | 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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112457363-A | Potato trisaccharide oleanolic acid saponin derivative and preparation method and application thereof | 华南农业大学 | 2021-03-09 | — | — | CN | claimed |
| EP-1155001-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2003-05-28 | — | — | EP | claimed |
| US-6417195-B1 | LIBRARIES AND COMBINATORIAL CHEMISTRY | LION BIOSCIENCE AG (DE) | 2002-07-09 | — | — | US | claimed |
| EP-1155001-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2001-11-21 | — | — | EP | claimed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | claimed |
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | claimed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | claimed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | claimed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | claimed |
| EP-3229771-B1 | 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF | UNIV PALACKEHO (CZ) | 2024-04-03 | — | — | EP | disclosed |
| CN-110218183-B | Selective butyrylcholine esterase inhibitor and application thereof | 济南大学 | 2022-02-08 | — | — | CN | disclosed |
| CN-112457363-B | Potato trisaccharide oleanolic acid saponin derivative and preparation method and application thereof | 华南农业大学 | 2021-12-24 | — | — | CN | disclosed |
| CN-112457363-A | Potato trisaccharide oleanolic acid saponin derivative and preparation method and application thereof | 华南农业大学 | 2021-03-09 | — | — | CN | disclosed |
| EP-3229772-B1 | 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF | UNIV PALACKEHO (CZ) | 2020-04-29 | — | — | EP | disclosed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | disclosed |
| EP-0057058-B1 | A METHOD OF PRESERVING ORGANIC MATERIALS FROM FUNGAL ATTACK AND A COMPOSITION FOR USE IN SUCH A METHOD | SANKYO COMPANY LIMITED (JP) | 1984-04-11 | — | — | EP | disclosed |
| US-4421766-A | 3-HALO-2,3-DIIODOACRYLIC ACID OR ESTER | SANKYO CO., LTD. (JP) | 1983-12-20 | — | — | US | disclosed |
| US-4370332-A | MUSCLE RELAXANTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1983-01-25 | — | — | US | disclosed |
| EP-0057058-A1 | A method of preserving organic materials from fungal attack and a composition for use in such a method | SANKYO COMPANY LIMITED (JP) | 1982-08-04 | — | — | EP | disclosed |