⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10520675 | 0.93 | ALDH1A1 (0.30) | — | |
| SCHEMBL19348358 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL26793093 | 0.82 | LMNA (0.34) | — | |
| 1,3-Butanediol SCHEMBL8531365 | 0.81 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL21161 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL147710 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL251421 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL2136410 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL28554930 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL6568311 | 0.77 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1214385-A1 | RF ACTIVE COMPOSITIONS FOR USE IN ADHESION, BONDING AND COATING | Ameritherm, Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001021725-A1 | RF ACTIVE COMPOSITIONS FOR USE IN ADHESION, BONDING AND COATING | AMERITHERM, INC. (US) | 2001-03-29 | — | — | WO | disclosed |