⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7600587 | 0.85 | — | — | |
| SCHEMBL7591423 | 0.78 | — | — | |
| SCHEMBL10535995 | 0.76 | — | — | |
| SCHEMBL60363 | 0.76 | — | — | |
| SCHEMBL8232153 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL23219800 | 0.74 | — | — | |
| SCHEMBL11526163 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL18606081 | 0.74 | — | — | |
| SCHEMBL28079331 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL73471 | 0.73 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3176461-A | — | — | None | — | — | JP | disclosed |
| US-20220402924-A1 | PROCESS FOR THE PREPARATION OF TOFACITINIB AND INTERMEDIATES THEREOF | AARTI PHARMALABS LIMITED (IN) | 2022-12-22 | — | — | US | disclosed |
| EP-3889225-A1 | COATING COMPOSITION | LG Chem, Ltd. (KR) | 2021-10-06 | — | — | EP | disclosed |
| US-5250715-A | Optically active 2-methylenepentane derivative and process for preparing same | DAISO CO., LTD. (JP) | 1993-10-05 | — | — | US | disclosed |
| US-5216187-A | Optically active 2-methylenepentane derivative and process for preparing same | DAISO CO., LTD. (JP) | 1993-06-01 | — | — | US | disclosed |
| US-5200538-A | Optically active 2-methylenecyclopentanone derivative and process for preparing same | DAISO CO., LTD. (JP) | 1993-04-06 | — | — | US | disclosed |
| US-5180844-A | Optically active 2-methylenecyclopentanone derivative and process for preparing same | DAISO CO., LTD. (JP) | 1993-01-19 | — | — | US | disclosed |
| US-5136066-A | Process for preparing optically active cyclopentenone derivative | DAISO CO., LTD. (JP) | 1992-08-04 | — | — | US | disclosed |
| JP-H03176461-A | OPTICALLY ACTIVE 1-CYANO-2-METHYLENEPENTANE DERIVATIVE | DAISO CO LTD | 1991-07-31 | — | — | JP | disclosed |