⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11250773 | 0.82 | — | — | |
| Bromide SCHEMBL18444828 | 0.80 | ALDH1A1 (0.60) | — | |
| SCHEMBL4779659 | 0.80 | ALDH1A1 (0.72) | — | |
| SCHEMBL4772963 | 0.80 | KMT2A (0.59) | — | |
| SCHEMBL15619179 | 0.79 | KMT2A (0.53) | — | |
| SCHEMBL486434 | 0.78 | — | — | |
| SCHEMBL25009512 | 0.76 | ALDH1A1 (0.80) | — | |
| SCHEMBL11159270 | 0.76 | — | — | |
| SCHEMBL6647390 | 0.76 | — | — | |
| SCHEMBL17012174 | 0.76 | — | — |
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-118580249-A | 5-Hydroxyfurocoumarin compound, preparation method and application thereof in preparing antiallergic medicine | 西安交通大学 | 2024-09-03 | — | — | CN | claimed |
| CN-118580249-A | 5-Hydroxyfurocoumarin compound, preparation method and application thereof in preparing antiallergic medicine | 西安交通大学 | 2024-09-03 | — | — | CN | disclosed |
| US-20110039888-A1 | ASYMMETRIC ALPHA FUNCTIONALIZATION AND ALPHA, ALPHA BISFUNCTIONALIZATION OF ALDEHYDES AND KETONES | COLTART DON M | 2011-02-17 | — | — | US | disclosed |
| WO-2009131657-A1 | ASYMMETRIC ALPHA FUNCTIONALIZATION AND ALPHA, ALPHA BISFUNCTIONALIZATION OF ALDEHYDES AND KETONES | DUKE UNIVERSITY (US) | 2009-10-29 | — | — | WO | disclosed |