⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3371080 | 0.77 | — | — | |
| SCHEMBL5397631 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL7053330 | 0.75 | CYP4F2 (0.36) | — | |
| SCHEMBL642729 | 0.74 | — | — | |
| SCHEMBL26380 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL5947966 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL11419091 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL9017248 | 0.72 | — | — | |
| Dalapon SCHEMBL5693111 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL4676137 | 0.72 | — | — |
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-6271386-B1 | COMPLEXABLE WITH ACTIVE AGROCHEMICAL, PHARMACEUTICAL OR COSMETIC AGENTS FOR CONTROLLED RELEASE THEREOF; LAUNDRY DETERGENT OR RINSING COMPOSITION. | ISP INVESTMENTS INC. | 2001-08-07 | — | — | US | disclosed |
| WO-2000035880-A1 | QUATERNIZED WATER SOLUBLE VINYLPYRIDINE CARBOXYLATE POLYMERS | ISP INVESTMENTS INC. (US) | 2000-06-22 | — | — | WO | disclosed |