⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19206408 | 0.90 | — | — | |
| SCHEMBL19206351 | 0.84 | — | — | |
| SCHEMBL19206373 | 0.83 | DRD2 (0.35) | — | |
| SCHEMBL19206364 | 0.82 | METAP2 (0.33) | — | |
| SCHEMBL19206336 | 0.81 | — | — | |
| SCHEMBL19206327 | 0.81 | METAP2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL19206340 | 0.79 | METAP2 (0.33) | — | |
| SCHEMBL19206349 | 0.78 | METAP2 (0.31) | — | |
| SCHEMBL19206564 | 0.78 | VEGFA (0.32) | — | |
| SCHEMBL19206342 | 0.77 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10072033-B2 | N-(phosphinoalkyl)-N-(thioalkyl)amine derivative, method for producing same, and metal complex thereof | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2018-09-11 | — | — | US | disclosed |
| US-20170233418-A1 | N-(PHOSPHINOALKYL)-N-(THIOALKYL)AMINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND METAL COMPLEX THEREOF | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2017-08-17 | — | — | US | disclosed |