⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9911036 | 1.00 | — | — | |
| SCHEMBL18143023 | 0.80 | PABPC1 (0.32) | — | |
| SCHEMBL9911035 | 0.80 | PABPC1 (0.32) | — | |
| SCHEMBL9886534 | 0.80 | PABPC1 (0.32) | — | |
| SCHEMBL9886538 | 0.80 | PABPC1 (0.32) | — | |
| SCHEMBL9911034 | 0.80 | PABPC1 (0.32) | — | |
| SCHEMBL9911033 | 0.79 | ERBB2 (0.34) | — | |
| SCHEMBL9105522 | 0.79 | ERBB2 (0.34) | — | |
| SCHEMBL9886530 | 0.79 | ERBB2 (0.34) | — | |
| SCHEMBL22980335 | 0.62 | ERBB2 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2646408-B1 | PROCESS FOR THE PREPARATION OF 2-METHOXYMETHYL-1,4-BENZENEDIAMINE, ITS DERIVATIVES THEREOF AND THE SALTS THEREOF | PROCTER & GAMBLE (US) | 2016-10-19 | — | — | EP | disclosed |
| WO-2012074536-A1 | PROCESS FOR THE PREPARATION OF 2-METHOXYMETHYL-1,4-BENZENEDIAMINE, ITS DERIVATIVES THEREOF AND THE SALTS THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2012-06-07 | — | — | WO | disclosed |
| US-20120142969-A1 | Process for the Preparation of 2-Methoxymethyl-1,4-Benzenediamine, Its Derivatives Thereof and the Salts Thereof | WELLA OPERATIONS US, LLC | 2012-06-07 | — | — | US | disclosed |