⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL50056 | 1.00 | — | — | |
| SCHEMBL2031403 | 1.00 | EPHX1 (0.32) | — | |
| SCHEMBL2710428 | 1.00 | — | — | |
| SCHEMBL11551881 | 0.95 | — | — | |
| SCHEMBL9576633 | 0.91 | CHRM2 (0.32) | — | |
| 1,2-Dichloroethane SCHEMBL3731225 | 0.80 | — | — | |
| SCHEMBL18917648 | 0.80 | — | — | |
| SCHEMBL3731224 | 0.80 | — | — | |
| SCHEMBL673997 | 0.78 | — | — | |
| SCHEMBL13482024 | 0.78 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5648376-A | Immunosuppressant diterpene compound | PHARMAGENESIS, INC. (US) | 1997-07-15 | — | — | US | claimed |
| WO-1996022382-A1 | IMMUNOSUPPRESSANT COMPOUND AND METHOD OF PRODUCTION | PHARMAGENESIS, INC. (US) | 1996-07-25 | — | — | WO | claimed |
| US-5648376-A | Immunosuppressant diterpene compound | PHARMAGENESIS, INC. (US) | 1997-07-15 | — | — | US | disclosed |
| US-5648376-A | Immunosuppressant diterpene compound | PHARMAGENESIS, INC. (US) | 1997-07-15 | — | — | US | disclosed |
| WO-1996022382-A1 | IMMUNOSUPPRESSANT COMPOUND AND METHOD OF PRODUCTION | PHARMAGENESIS, INC. (US) | 1996-07-25 | — | — | WO | disclosed |