⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21391646 | 0.74 | NPC1 (0.31) | — | |
| SCHEMBL13290621 | 0.74 | — | — | |
| SCHEMBL21391800 | 0.71 | — | — | |
| SCHEMBL13735000 | 0.71 | — | — | |
| SCHEMBL21391758 | 0.69 | — | — | |
| SCHEMBL14403517 | 0.62 | — | — | |
| SCHEMBL12337440 | 0.57 | — | — | |
| SCHEMBL8275602 | 0.56 | NOS3 (0.31) | — | |
| SCHEMBL22166988 | 0.55 | — | — | |
| SCHEMBL12217219 | 0.55 | — | — |
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-20210017162-A1 | NEURITE OUTGROWTH PROMOTERS AND USES THEREOF | UNIVERSITY OF MIAMI | 2021-01-21 | — | — | US | disclosed |
| WO-2019183369-A1 | NEURITE OUTGROWTH PROMOTERS AND USES THEREOF | UNIVERSITY OF MIAMI (US) | 2019-09-26 | — | — | WO | disclosed |