⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8538521 | 0.97 | — | — | |
| SCHEMBL10066918 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7469521 | 0.66 | CYP2D6 (0.37) | — | |
| SCHEMBL10808870 | 0.63 | — | — | |
| SCHEMBL524958 | 0.63 | — | — | |
| SCHEMBL8090041 | 0.62 | — | — | |
| Bromide SCHEMBL28936676 | 0.61 | ALDH1A1 (0.34) | — | |
| SCHEMBL1036921 | 0.58 | DPP4 (0.50) | — | |
| SCHEMBL255230 | 0.58 | DPP4 (0.50) | — | |
| SCHEMBL3754568 | 0.58 | DPP4 (0.50) | — |
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-5854279-A | Therapeutic agent for dermatosis | EISAI CO., LTD (JP) | 1998-12-29 | — | — | US | claimed |
| US-5854279-A | Therapeutic agent for dermatosis | EISAI CO., LTD (JP) | 1998-12-29 | — | — | US | disclosed |