⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14601289 | 0.79 | — | — | |
| SCHEMBL5132339 | 0.79 | ALDH1A1 (0.46) | — | |
| SCHEMBL5132341 | 0.79 | ALDH1A1 (0.46) | — | |
| SCHEMBL14565240 | 0.77 | ATM (0.46) | — | |
| SCHEMBL27852247 | 0.76 | GAA (0.44) | — | |
| SCHEMBL15131291 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL6219184 | 0.74 | — | — | |
| SCHEMBL15131361 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL12121703 | 0.74 | — | — | |
| SCHEMBL15131368 | 0.73 | MAPK1 (0.41) | — |
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-5300278-A | Binding antibodies | CIS BIO INTERNATIONAL (FR) | 1994-04-05 | — | — | US | claimed |
| EP-0403524-B1 | PREPARATION OF NITRURO COMPOUNDS USABLE AS RADIO-PHARMACEUTICAL PRODUCTS | CIS BIO INTERNATIONAL (FR) | 1993-02-10 | — | — | EP | claimed |
| EP-0403524-A1 | PREPARATION OF NITRURO COMPOUNDS USABLE AS RADIO-PHARMACEUTICAL PRODUCTS. | CIS BIO INT (FR) | 1990-12-27 | — | — | EP | claimed |
| WO-1989008657-A2 | PREPARATION OF NITRURO COMPOUNDS USABLE AS RADIO-PHARMACEUTICAL PRODUCTS | CIS BIO INTERNATONAL (FR) | 1989-09-21 | — | — | WO | claimed |