⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3139453 | 0.78 | — | — | |
| SCHEMBL28464816 | 0.77 | FDPS (0.33) | — | |
| SCHEMBL27829275 | 0.75 | CA2 (0.39) | — | |
| SCHEMBL9381935 | 0.71 | — | — | |
| SCHEMBL10872949 | 0.69 | LAP3 (0.38) | — | |
| SCHEMBL13081005 | 0.69 | — | — | |
| SCHEMBL6951134 | 0.67 | MEN1 (0.52) | — | |
| SCHEMBL7541923 | 0.67 | FDPS (0.39) | — | |
| Phosphoric Acid SCHEMBL26662213 | 0.67 | CA2 (0.38) | — | |
| SCHEMBL11031209 | 0.67 | CYP2C19 (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5965882-A | Miniaturized ion mobility spectrometer sensor cell | RAYTHEON COMPANY (US) | 1999-10-12 | — | — | US | disclosed |
| US-4514396-A | 15-Cycloaliphatic derivatives of 13,14-didehydro-carboprostacyclins and process for their preparation | FARMITALIA CARLO ERBA S.P.A. (IT) | 1985-04-30 | — | — | US | disclosed |
| EP-0050778-B1 | PROCESS FOR THE PREPARATION OF PHOSPHONOFORMALDEHYDE-HYDRATE | BAYER AG (DE) | 1984-06-20 | — | — | EP | disclosed |
| US-4447367-A | Phosphonoformaldehyde, a process for its preparation and its use as an intermediate product for the preparation of medicaments | BAYER AKTIENGESELLSCHAFT (DE) | 1984-05-08 | — | — | US | disclosed |
| US-4348332-A | Phosphonoformaldehyde, a process for its preparation and its use as an intermediate product for the preparation of medicaments | BAYER AKTIENGESELLSCHAFT (DE) | 1982-09-07 | — | — | US | disclosed |
| EP-0050778-A1 | Process for the preparation of phosphonoformaldehyde-hydrate | BAYER AG (DE) | 1982-05-05 | — | — | EP | disclosed |