⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8171000 | 0.86 | SPHK1 (0.33) | — | |
| SCHEMBL16585780 | 0.62 | — | — | |
| SCHEMBL20284813 | 0.62 | — | — | |
| SCHEMBL24618327 | 0.58 | — | — | |
| SCHEMBL11194120 | 0.58 | — | — | |
| SCHEMBL16389701 | 0.58 | — | — | |
| SCHEMBL13500505 | 0.56 | EGLN1 (0.34) | — | |
| SCHEMBL12460457 | 0.55 | — | — | |
| SCHEMBL24177047 | 0.54 | — | — | |
| SCHEMBL3712942 | 0.53 | GLA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114114835-A | Additive and photoresist composition containing same | 陕西彩虹新材料有限公司 | 2022-03-01 | — | — | CN | disclosed |
| US-20180170942-A1 | POLYCYCLIC DERIVATIVES TARGETING RAL GTPASES AND THEIR THERAPEUTICAL APPLICATIONS | NANTBIO INC (US) | 2018-06-21 | — | — | US | disclosed |