⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL904451 | 0.84 | — | — | |
| SCHEMBL356089 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL10703486 | 0.73 | LMNA (0.46) | — | |
| SCHEMBL22499942 | 0.72 | — | — | |
| Isopropyl Alcohol SCHEMBL27479745 | 0.70 | TSHR (0.42) | — | |
| SCHEMBL27825773 | 0.70 | — | — | |
| SCHEMBL28331115 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL28225601 | 0.68 | TDP1 (0.38) | — | |
| SCHEMBL2115317 | 0.68 | MGAM (0.38) | — | |
| SCHEMBL5517805 | 0.67 | TSHR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0121241-B1 | PROCESS FOR THE PRODUCTION OF HIGH MOLECULAR WEIGHT ORGANOALUMINUM POLYMERS | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1988-03-09 | — | — | EP | disclosed |
| US-4533712-A | REACTION OF WATER, AND ACID AND AN ORGANQALUMINUM COMPOUND | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1985-08-06 | — | — | US | disclosed |
| EP-0121241-A1 | Process for the production of high molecular weight organoaluminum polymers | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1984-10-10 | — | — | EP | disclosed |