⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15131255 | 0.82 | — | — | |
| SCHEMBL15131206 | 0.82 | LDHA (0.35) | — | |
| SCHEMBL5846213 | 0.82 | — | — | |
| Carbamic Acid SCHEMBL11020831 | 0.79 | ACHE (0.35) | — | |
| SCHEMBL81646 | 0.74 | — | — | |
| SCHEMBL8748923 | 0.70 | CES1 (0.33) | — | |
| SCHEMBL17106814 | 0.69 | MMP1 (0.31) | — | |
| SCHEMBL9404049 | 0.69 | TDP1 (0.36) | — | |
| SCHEMBL3536872 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL20361923 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6689890-B2 | Efficient lactam synthesis | UNIVERSITY OF SOUTH FLORIDA | 2004-02-10 | — | — | US | disclosed |
| US-20030171599-A1 | Efficient lactam synthesis | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-09-11 | — | — | US | disclosed |
| US-20030004337-A1 | Efficient lactam synthesis | SOUTH FLORIDA, UNIVERSITY OF | 2003-01-02 | — | — | US | disclosed |
| WO-2001083446-A1 | EFFICIENT LACTAM SYNTHESIS | UNIVERSITY OF SOUTH FLORIDA (US) | 2001-11-08 | — | — | WO | disclosed |