⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4061442 | 0.74 | — | — | |
| SCHEMBL7530854 | 0.70 | MAPT (0.41) | — | |
| SCHEMBL3613613 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL9536347 | 0.69 | — | — | |
| SCHEMBL8211211 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL2880201 | 0.67 | — | — | |
| SCHEMBL700525 | 0.67 | — | — | |
| SCHEMBL23586669 | 0.63 | — | — | |
| SCHEMBL3397992 | 0.62 | — | — | |
| SCHEMBL671608 | 0.61 | — | — |
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-0295294-A4 | PEPTIDYLAMINODIOLS. | ABBOTT LAB (US) | 1990-04-10 | — | — | EP | disclosed |
| EP-0295294-A1 | PEPTIDYLAMINODIOLS | ABBOTT LABORATORIES (US) | 1988-12-21 | — | — | EP | disclosed |
| WO-1988005050-A1 | PEPTIDYLAMINODIOLS | ABBOTT LABORATORIES (US) | 1988-07-14 | — | — | WO | disclosed |