⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14654864 | 0.78 | EPHX1 (0.45) | — | |
| SCHEMBL760690 | 0.77 | — | — | |
| SCHEMBL18829872 | 0.76 | — | — | |
| SCHEMBL23418848 | 0.75 | — | — | |
| SCHEMBL19861185 | 0.74 | EPHX1 (0.57) | — | |
| SCHEMBL15888115 | 0.74 | EPHX1 (0.57) | — | |
| SCHEMBL27662307 | 0.74 | — | — | |
| SCHEMBL8393683 | 0.73 | — | — | |
| Methane SCHEMBL10795768 | 0.73 | EPHX1 (0.55) | — | |
| SCHEMBL13250951 | 0.72 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0975590-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-02-02 | — | — | EP | claimed |
| US-5925754-A | REDUCTING BY-PRODUCTS; CHEMICAL INTERMEDIATE FOR NYLON | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-07-20 | — | — | US | claimed |
| WO-1998046564-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-22 | — | — | WO | claimed |
| US-20220153748-A1 | PYRROLOTRIAZINE DERIVATIVES FOR TREATING KIT-AND PDGFRA-MEDIATED DISEASES | BLUEPRINT MEDICINES CORPORATION | 2022-05-19 | — | — | US | disclosed |
| EP-3822261-A1 | CYCLIC HEMIACETAL COMPOUND PRODUCTION METHOD | Kuraray Co., Ltd. (JP) | 2021-05-19 | — | — | EP | disclosed |
| CN-112272663-A | Process for producing cyclic hemiacetal compound | 株式会社可乐丽 | 2021-01-26 | — | — | CN | disclosed |
| US-20200325141-A1 | COMPOSITIONS AND METHODS FOR TREATING KIT- AND PDGFRA-MEDIATED DISEASES | BLUEPRINT MEDICINES CORPORATION | 2020-10-15 | — | — | US | disclosed |
| US-6331650-B1 | Method for manufacturing aminoalcohol | KURARAY CO., LTD. (JP) | 2001-12-18 | — | — | US | disclosed |
| EP-1074541-A1 | Method for manufacturing aminoalcohol | Kuraray Co., Ltd., Kurashiki Plant (JP) | 2001-02-07 | — | — | EP | disclosed |
| EP-0975590-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-02-02 | — | — | EP | disclosed |
| US-5925754-A | REDUCTING BY-PRODUCTS; CHEMICAL INTERMEDIATE FOR NYLON | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-07-20 | — | — | US | disclosed |
| WO-1998046564-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-22 | — | — | WO | disclosed |