⚠ 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 | |
|---|---|---|---|---|
| Pyrrolidine SCHEMBL4604231 | 0.93 | ALDH1A1 (0.50) | — | |
| Pyrrolidine SCHEMBL28317841 | 0.90 | ALDH1A1 (0.47) | — | |
| Piperidine SCHEMBL1583028 | 0.90 | ALDH1A1 (0.56) | — | |
| Pyrrole SCHEMBL28257456 | 0.90 | CXCR4 (0.56) | — | |
| Pyrrole SCHEMBL28636726 | 0.88 | — | — | |
| Piperidine SCHEMBL1288276 | 0.87 | ALDH1A1 (0.53) | — | |
| Piperazine SCHEMBL28257898 | 0.85 | HIF1A (0.46) | — | |
| Piperazine SCHEMBL20360553 | 0.85 | HIF1A (0.46) | — | |
| Cyclohexane SCHEMBL20139334 | 0.84 | — | — | |
| Cyclohexane SCHEMBL28349733 | 0.84 | — | — |
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-1594438-A2 | USE OF AN INHIBITOR OF 15-HYDROXYPROSTAGLANDIN DEHYDROGENASE IN ORDER TO STIMULATE PIGMENTATION OF THE SKIN OR SKIN APPENDAGES | L'OREAL (FR) | 2005-11-16 | — | — | EP | disclosed |
| WO-2004073594-A2 | USE OF AN INHIBITOR OF 15-HYDROXYPROSTAGLANDIN DEHYDROGENASE IN ORDER TO STIMULATE PIGMENTATION OF THE SKIN OR SKIN APPENDAGES | L'OREAL (FR) | 2004-09-02 | — | — | WO | disclosed |