⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19782101 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL9051400 | 0.71 | — | — | |
| SCHEMBL20282211 | 0.69 | — | — | |
| SCHEMBL13142134 | 0.68 | — | — | |
| SCHEMBL13596207 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL13166778 | 0.65 | KMT2A (0.32) | — | |
| SCHEMBL22787490 | 0.65 | PIK3CD (0.32) | — | |
| SCHEMBL5892337 | 0.62 | — | — | |
| SCHEMBL17465544 | 0.61 | TSHR (0.43) | — | |
| SCHEMBL31086486 | 0.61 | MGAM (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019191482-A1 | WATER-SOLUBLE POLYMERIC DYES HAVING PENDANT CHROMOPHORES | BECTON, DICKINSON AND COMPANY (US) | 2019-10-03 | — | — | WO | disclosed |
| WO-2018013389-A1 | BLUE-EXCITABLE WATER-SOLVATED POLYMERIC DYES | BECTON, DICKINSON AND COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |