⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11109338 | 0.95 | — | — | |
| SCHEMBL1701721 | 0.81 | — | — | |
| SCHEMBL8892266 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL2639316 | 0.78 | CES2 (0.31) | — | |
| SCHEMBL22806980 | 0.78 | TSHR (0.42) | — | |
| SCHEMBL3321801 | 0.78 | CES2 (0.31) | — | |
| SCHEMBL164253 | 0.78 | TSHR (0.42) | — | |
| SCHEMBL60430 | 0.78 | TSHR (0.42) | — | |
| SCHEMBL5786379 | 0.78 | CES2 (0.31) | — | |
| SCHEMBL13599228 | 0.78 | TSHR (0.42) | — |
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-7947839-B2 | Heterocyclic-substituted bis-1,8 naphthalimide compounds, antibody drug conjugates, and methods of use | GENENTECH, INC. (US) | 2011-05-24 | — | — | US | disclosed |
| US-20030138432-A1 | Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs | DRUG INNOVATION & DESIGN, INC. | 2003-07-24 | — | — | US | disclosed |
| EP-1255567-A1 | SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES | Drug Innovation & Design, Inc. (US) | 2002-11-13 | — | — | EP | disclosed |
| WO-2001036003-A2 | SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES | DRUG INNOVATION & DESIGN, INC. (US) | 2001-05-25 | — | — | WO | disclosed |