⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29434641 | 0.95 | — | — | |
| SCHEMBL8023013 | 0.70 | — | — | |
| SCHEMBL8462179 | 0.68 | — | — | |
| SCHEMBL2556849 | 0.67 | — | — | |
| SCHEMBL7725 | 0.67 | — | — | |
| SCHEMBL10347085 | 0.67 | ALDH1A1 (0.46) | — | |
| SCHEMBL479164 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL11572782 | 0.64 | — | — | |
| SCHEMBL11707206 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL11280437 | 0.64 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4885346-A | HEAT CURABLE; MOLDING MATERIALS | CIBA-GEIGY CORPORATION (US) | 1989-12-05 | — | — | US | disclosed |
| US-4777236-A | PREPREGS, LAMINATES, COATINGS, GLUEING | CIBA-GEIGY CORPORATION (US) | 1988-10-11 | — | — | US | disclosed |
| US-4587317-A | ACID CATALYSTS | CIBA-GEIGY CORPORATION (US) | 1986-05-06 | — | — | US | disclosed |