⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1426587 | 1.00 | — | — | |
| SCHEMBL8733766 | 0.84 | — | — | |
| SCHEMBL14137725 | 0.72 | — | — | |
| SCHEMBL14480508 | 0.65 | — | — | |
| SCHEMBL5710534 | 0.63 | — | — | |
| SCHEMBL4784620 | 0.61 | — | — | |
| SCHEMBL17239392 | 0.60 | NOS3 (0.30) | — | |
| SCHEMBL17239391 | 0.60 | NOS3 (0.30) | — | |
| SCHEMBL19621655 | 0.59 | — | — | |
| SCHEMBL8205685 | 0.59 | ALDH1A1 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | disclosed |