⚠ 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 SCHEMBL7955243 | 1.00 | — | — | |
| SCHEMBL7102072 | 0.97 | — | — | |
| SCHEMBL7100342 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL7099688 | 0.91 | CA2 (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL7099686 | 0.91 | CA2 (0.35) | — | |
| Trolamine SCHEMBL7958988 | 0.89 | — | — | |
| SCHEMBL7100589 | 0.89 | CA2 (0.35) | — | |
| SCHEMBL7098119 | 0.89 | CA2 (0.35) | — | |
| Trolamine SCHEMBL7095006 | 0.82 | ALDH1A1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL7100043 | 0.81 | TP53 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6261352-B1 | BETAINE, SULFO ESTER | THE PILOT INK CO., LTD. (JP) | 2001-07-17 | — | — | US | disclosed |
| EP-0964036-A2 | Water-based ball-point pen ink composition | THE PILOT INK CO., LTD. (JP) | 1999-12-15 | — | — | EP | disclosed |