⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2000263 | 0.97 | — | — | |
| SCHEMBL30704427 | 0.78 | — | — | |
| SCHEMBL183214 | 0.78 | — | — | |
| SCHEMBL14149956 | 0.76 | ABAT (0.46) | — | |
| Hydrochloric Acid SCHEMBL25381774 | 0.75 | CYP2A6 (0.52) | — | |
| SCHEMBL6827419 | 0.74 | — | — | |
| SCHEMBL4411220 | 0.72 | — | — | |
| SCHEMBL183237 | 0.72 | — | — | |
| SCHEMBL6657577 | 0.70 | CYP2A6 (0.67) | — | |
| SCHEMBL10990263 | 0.70 | CYP2C19 (0.48) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0342182-A1 | Derivatives of 5-aminomethyl-2-furan methanol, their preparation and use | Gerot-Pharmazeutika Gesellschaft m.b.H. (AT) | 1989-11-15 | — | — | EP | disclosed |