⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6906897 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL28419288 | 0.72 | MT-CO2 (0.35) | — | |
| SCHEMBL3234208 | 0.71 | CA1 (0.38) | — | |
| SCHEMBL15660133 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL2106926 | 0.70 | — | — | |
| SCHEMBL9646957 | 0.70 | MT-CO2 (0.33) | — | |
| SCHEMBL17633095 | 0.67 | — | — | |
| SCHEMBL30130599 | 0.65 | LMNA (0.30) | — | |
| SCHEMBL29526579 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL19198208 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7160852-B2 | Polyalklbicylic derivatives | INTERNATIONAL FLAVORS & FRAGRANCES INC (US) | 2007-01-09 | — | — | US | disclosed |
| US-6632788-B2 | For use as fragrance chemicals | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2003-10-14 | — | — | US | disclosed |