⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1594976 | 0.71 | — | — | |
| SCHEMBL27051439 | 0.68 | ELANE (0.32) | — | |
| SCHEMBL2955397 | 0.68 | — | — | |
| SCHEMBL5907760 | 0.67 | TP53 (0.32) | — | |
| SCHEMBL28706826 | 0.67 | — | — | |
| SCHEMBL1061431 | 0.67 | — | — | |
| SCHEMBL1689367 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL9815891 | 0.65 | GRIN2D (0.34) | — | |
| SCHEMBL22557962 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL475925 | 0.65 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5830885-A | BIOLOGICAL ANTIGROWTH AGENT | THE JOHNS HOPKINS UNIVERSITY (US) | 1998-11-03 | — | — | US | disclosed |
| US-5789607-A | Process for the preparation of 1,25-dihydroxy-16-ene-23-yne-cholecalciferol | HOFFMANN-LA ROCHE INC. (US) | 1998-08-04 | — | — | US | disclosed |
| US-5747478-A | Vitamin D3 analogs for the treatment of psoriasis and sebaceous gland diseases | HOFFMAN-LA ROCHE INC. (US) | 1998-05-05 | — | — | US | disclosed |