⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL1306392 | 0.94 | — | — | |
| SCHEMBL28721653 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL11776225 | 0.94 | — | — | |
| Formaldehyde SCHEMBL27935743 | 0.88 | — | — | |
| Cyanide SCHEMBL27917049 | 0.88 | — | — | |
| SCHEMBL28539603 | 0.88 | — | — | |
| SCHEMBL28772308 | 0.85 | ALOX15 (0.33) | — | |
| Acetaldehyde SCHEMBL27666486 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL11779922 | 0.75 | DAO (0.42) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3346392 | 0.73 | KMT2A (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112552322-B | Near-infrared two-photon photosensitive dye SBOPI and preparation method and application thereof | 东南大学 | 2022-03-29 | — | — | CN | claimed |
| CN-112552322-A | Near-infrared two-photon photosensitive dye SBOPI and preparation method and application thereof | 东南大学 | 2021-03-26 | — | — | CN | claimed |
| CN-112552322-B | Near-infrared two-photon photosensitive dye SBOPI and preparation method and application thereof | 东南大学 | 2022-03-29 | — | — | CN | disclosed |
| CN-112552322-A | Near-infrared two-photon photosensitive dye SBOPI and preparation method and application thereof | 东南大学 | 2021-03-26 | — | — | CN | disclosed |