⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28123770 | 0.69 | — | — | |
| SCHEMBL9500890 | 0.67 | — | — | |
| SCHEMBL7737256 | 0.65 | — | — | |
| SCHEMBL204351 | 0.65 | — | — | |
| SCHEMBL17453160 | 0.65 | — | — | |
| SCHEMBL12425174 | 0.65 | — | — | |
| SCHEMBL23367618 | 0.63 | — | — | |
| SCHEMBL3457327 | 0.61 | — | — | |
| Formaldehyde SCHEMBL22418725 | 0.61 | ALDH1A1 (0.43) | — | |
| SCHEMBL22418728 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998030535-A1 | AMINO ACID COMPOUNDS | COCKBAIN JULIAN (GB) | 1998-07-16 | — | — | WO | disclosed |