⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9913258 | 0.83 | — | — | |
| SCHEMBL19972017 | 0.83 | P2RX3 (0.30) | — | |
| SCHEMBL19197818 | 0.79 | CA1 (0.32) | — | |
| SCHEMBL19972003 | 0.76 | CA1 (0.30) | — | |
| SCHEMBL19972035 | 0.74 | CA1 (0.48) | — | |
| SCHEMBL341228 | 0.74 | CA1 (0.35) | — | |
| SCHEMBL8976031 | 0.73 | GAA (0.38) | — | |
| SCHEMBL6542714 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL4634575 | 0.70 | CA1 (0.39) | — | |
| SCHEMBL19972055 | 0.70 | LMNA (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9957241-B2 | Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor | SEIKA CORPORATION (JP) | 2018-05-01 | — | — | US | disclosed |
| US-20180079732-A1 | AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR | SEIKA CORPORATION (JP) | 2018-03-22 | — | — | US | disclosed |
| CN-107531652-A | Aromatic diamine, intermediate thereof, and processes for producing these | 精化株式会社 | 2018-01-02 | — | — | CN | disclosed |