⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL5497679 | 0.71 | — | — | |
| SCHEMBL1666657 | 0.67 | KDM4E (0.34) | — | |
| SCHEMBL9700157 | 0.67 | RAD52 (0.35) | — | |
| SCHEMBL27533775 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL27493259 | 0.67 | SLC6A2 (0.35) | — | |
| SCHEMBL8755165 | 0.67 | KDM4E (0.31) | — | |
| SCHEMBL28807690 | 0.65 | KMT2A (0.34) | — | |
| Phenol SCHEMBL28121567 | 0.65 | CA12 (0.34) | — | |
| SCHEMBL8736618 | 0.64 | RAD52 (0.33) | — | |
| SCHEMBL1666383 | 0.64 | KMT2A (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1337536-A1 | CATIONIC GROUP-3 CATALYST SYSTEM | ExxonMobil Chemical Patents Inc. (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002032909-A1 | CATIONIC GROUP-3 CATALYST SYSTEM | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2002-04-25 | — | — | WO | disclosed |