⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18501582 | 0.85 | NPC1 (0.31) | — | |
| SCHEMBL18923680 | 0.85 | NPC1 (0.31) | — | |
| SCHEMBL18334084 | 0.68 | CRBN (0.36) | — | |
| SCHEMBL18923564 | 0.62 | — | — | |
| SCHEMBL18501595 | 0.59 | — | — | |
| SCHEMBL18923641 | 0.57 | KMT2A (0.31) | — | |
| SCHEMBL18334079 | 0.55 | CRBN (0.38) | — | |
| SCHEMBL17214372 | 0.54 | PKM (0.36) | — | |
| SCHEMBL12944600 | 0.51 | ALDH1A1 (0.35) | — | |
| SCHEMBL18334090 | 0.50 | ALOX5 (0.35) | — |
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-9670226-B2 | Sesquiterpenoids | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2017-06-06 | — | — | US | disclosed |
| US-20170044180-A1 | Sesquiterpenoids | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2017-02-16 | — | — | US | disclosed |