⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11690362 | 0.77 | — | — | |
| SCHEMBL125469 | 0.70 | PGK1 (0.39) | — | |
| SCHEMBL6357411 | 0.70 | — | — | |
| Water SCHEMBL4223880 | 0.67 | PGK1 (0.37) | — | |
| SCHEMBL1585492 | 0.67 | — | — | |
| SCHEMBL6553433 | 0.67 | — | — | |
| SCHEMBL27568780 | 0.67 | PGK1 (0.37) | — | |
| SCHEMBL335788 | 0.67 | — | — | |
| SCHEMBL8988204 | 0.67 | PGK1 (0.37) | — | |
| SCHEMBL8976677 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0527185-B1 | AMETHOPTERIN(METHOTREXATE) PRO-DRUGS, INTERMEDIATE PRODUCTS, A PREPARATION METHOD, AND COMPOSITIONS CONTAINING THEM | BRITISH TECH GROUP (GB) | 1995-04-12 | — | — | EP | disclosed |
| EP-0527185-A1 | AMETHOPTERIN(METHOTREXATE) PRO-DRUGS, INTERMEDIATE PRODUCTS, A PREPARATION METHOD, AND COMPOSITIONS CONTAINING THEM. | UNIV BRETAGNE OCCIDENTALE (FR) | 1993-02-17 | — | — | EP | disclosed |
| WO-1991016330-A1 | AMETHOPTERIN(METHOTREXATE) PRO-DRUGS, INTERMEDIATE PRODUCTS, A PREPARATION METHOD, AND COMPOSITIONS CONTAINING THEM | UNIVERSITE DE BRETAGNE OCCIDENTALE (FR) | 1991-10-31 | — | — | WO | disclosed |
| EP-0313997-A2 | Medicine, therein contained phosphor containing 2-isoxazolidines and isoxazoles, as well as process for preparing those heterocyclic compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-05-03 | — | — | EP | disclosed |
| EP-0002733-A2 | Method of preparing phosphinic or phosphonic acid anhydrides | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-07-11 | — | — | EP | disclosed |