⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2806563 | 0.73 | PDE4A (0.34) | — | |
| SCHEMBL1151631 | 0.72 | MAPT (0.55) | — | |
| Ammonia Solution, Strong SCHEMBL9432737 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL9007567 | 0.71 | — | — | |
| SCHEMBL5706628 | 0.71 | — | — | |
| SCHEMBL7902088 | 0.71 | — | — | |
| SCHEMBL1042244 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL11808188 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL6425647 | 0.71 | — | — | |
| SCHEMBL23643492 | 0.71 | MAPT (0.42) | — |
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-9290462-B1 | Polythiol curing agents with low odor | TDA RESEARCH, INC. (US) | 2016-03-22 | — | — | US | disclosed |
| US-9290462-B1 | Polythiol curing agents with low odor | TDA RESEARCH, INC. (US) | 2016-03-22 | — | — | US | disclosed |