⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10315584 | 0.79 | — | — | |
| SCHEMBL28019463 | 0.77 | TSHR (0.41) | — | |
| SCHEMBL22801155 | 0.69 | — | — | |
| SCHEMBL28873260 | 0.68 | MAOA (0.32) | — | |
| Hydrochloric Acid SCHEMBL1768618 | 0.67 | NOS2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL27972450 | 0.66 | NOS2 (0.33) | — | |
| SCHEMBL26294818 | 0.66 | MYC (0.32) | — | |
| SCHEMBL3792409 | 0.65 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL17753299 | 0.64 | TSHR (0.45) | — | |
| SCHEMBL1355431 | 0.62 | TSHR (0.37) | — |
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-6727275-B2 | ANTIINFLAMMATORY, ANTIALLERGEN, AND ANTIASTHMATIC AGENTS | UCB, S.A./N.V. (BE) | 2004-04-27 | — | — | US | disclosed |