⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18066903 | 0.71 | NOS1 (0.43) | — | |
| SCHEMBL15357789 | 0.69 | FDPS (0.32) | — | |
| SCHEMBL12667404 | 0.67 | HCAR3 (0.37) | — | |
| SCHEMBL22096431 | 0.65 | CSF1R (0.36) | — | |
| SCHEMBL17206953 | 0.65 | CSF1R (0.36) | — | |
| SCHEMBL19993511 | 0.63 | NPC1 (0.30) | — | |
| SCHEMBL24845431 | 0.62 | ROCK2 (0.42) | — | |
| SCHEMBL12890498 | 0.60 | NR4A2 (0.34) | — | |
| SCHEMBL24845323 | 0.60 | ICAM1 (0.45) | — | |
| SCHEMBL21899251 | 0.59 | L3MBTL1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9169293-B2 | NPR-B agonists | Shire Orphan Thereapies GmbH (DE) | 2015-10-27 | — | — | US | disclosed |