⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL107898 | 0.78 | CA1 (0.44) | — | |
| SCHEMBL27650334 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL7753340 | 0.77 | — | — | |
| SCHEMBL25428203 | 0.76 | CES1 (0.38) | — | |
| SCHEMBL1784618 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL25741003 | 0.74 | GABRP (0.48) | — | |
| SCHEMBL1262417 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL107545 | 0.73 | CES2 (0.39) | — | |
| SCHEMBL11867497 | 0.73 | — | — | |
| SCHEMBL9316394 | 0.73 | ALOX15 (0.33) | — |
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-2001044145-A1 | METHOD FOR THE MANUFACTURE OF OLEFINS | FORTUM OIL AND GAS OY (FI) | 2001-06-21 | — | — | WO | disclosed |