⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL997657 | 0.81 | ALDH1A1 (0.40) | — | |
| SCHEMBL1830509 | 0.78 | — | — | |
| SCHEMBL12263742 | 0.78 | — | — | |
| SCHEMBL28444379 | 0.78 | — | — | |
| SCHEMBL11221322 | 0.78 | ALDH1A1 (0.39) | — | |
| Ethylene SCHEMBL8717309 | 0.75 | ALDH1A1 (0.37) | — | |
| Ethylene SCHEMBL8080273 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL28500123 | 0.75 | ALDH1A1 (0.42) | — | |
| Ethylene SCHEMBL4036431 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL5544553 | 0.75 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5821309-A | Polyaniline derivatives and their production process | TOMOEGAWA PAPER CO., LTD. (JP) | 1998-10-13 | — | — | US | disclosed |
| US-5635563-A | Polyaniline derivatives and their production process | TOMOEGAWA PAPER CO., LTD. (JP) | 1997-06-03 | — | — | US | disclosed |
| US-5623020-A | Polyaniline derivatives and their production process | TOMOEGAWA PAPER CO., LTD. (JP) | 1997-04-22 | — | — | US | disclosed |
| US-5621053-A | Polyaniline derivatives and their production process | TOMOEGAWA PAPER CO., LTD. (JP) | 1997-04-15 | — | — | US | disclosed |