⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL379653 | 0.73 | — | — | |
| SCHEMBL3889339 | 0.67 | TSHR (0.41) | — | |
| SCHEMBL5664997 | 0.60 | — | — | |
| Isopropyl Alcohol SCHEMBL28101701 | 0.58 | — | — | |
| Isopropyl Alcohol SCHEMBL3654212 | 0.58 | — | — | |
| Alcohol SCHEMBL10895476 | 0.58 | — | — | |
| Ethylamine SCHEMBL27874804 | 0.58 | TSHR (0.47) | — | |
| Butane SCHEMBL8029713 | 0.58 | — | — | |
| Isopropyl Alcohol SCHEMBL27636053 | 0.57 | — | — | |
| SCHEMBL32690655 | 0.56 | TSHR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0378318-A1 | Process for synthesis of FK-506 and tricarbonyl intermediates | MERCK & CO. INC. (US) | 1990-07-18 | — | — | EP | disclosed |