⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24833 | 0.83 | — | — | |
| SCHEMBL9659491 | 0.81 | ALDH1A1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL8814151 | 0.80 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL4378364 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL11405605 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL8734005 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL4566878 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL80952 | 0.76 | — | — | |
| SCHEMBL536303 | 0.74 | — | — | |
| SCHEMBL11404307 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0031586-A2 | Functionalised carbonaceous adsorbents, which may be ion exchange materials or precursors thereof,processes of making and using them | ROHM AND HAAS COMPANY (US) | 1981-07-08 | — | — | EP | claimed |
| US-4265768-A | CARBONACEOUS PARTICLES DERIVED FROM STYRENE-BASED POLYMERS | ROHM AND HAAS COMPANY (US) | 1981-05-05 | — | — | US | claimed |
| US-5099056-A | PROCESS FOR THE PRODUCTION OF N-SUBSTITUTED-AMINOMETHYLPHOSPHONIC ACID DIALKYLESTERS AND OF THE CORRESPONDING ACIDS | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1992-03-24 | — | — | US | disclosed |
| US-4830788-A | Process for preparation of substituted-aminomethylphosphonic acids | CROMPTON & KNOWLES CORPORATION (US) | 1989-05-16 | — | — | US | disclosed |