⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9463770 | 0.80 | KDM4E (0.47) | — | |
| SCHEMBL27114689 | 0.80 | NAAA (0.43) | — | |
| SCHEMBL2331459 | 0.80 | — | — | |
| SCHEMBL5689906 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL444679 | 0.78 | — | — | |
| SCHEMBL29053742 | 0.77 | PRKCA (0.42) | — | |
| SCHEMBL20236977 | 0.77 | LMNA (0.38) | — | |
| SCHEMBL8421641 | 0.77 | NAAA (0.38) | — | |
| SCHEMBL11151268 | 0.77 | MAPT (0.68) | — | |
| SCHEMBL24586199 | 0.76 | NAAA (0.40) | — |
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-4801601-A | ANTILEUKEMIA AGENT | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1989-01-31 | — | — | US | claimed |
| US-20080119551-A1 | SKIN COSMETICS COMPRISING A CYSTINE DERIVATIVE AND A CHEMICAL PEELING AGENT, A BACTERICIDE, AN ANIONIC SUFACTANT, OR A CATIONIC SURFACTANT | AJINOMOTO CO. INC (JP) | 2008-05-22 | — | — | US | disclosed |
| US-20040156802-A1 | Cosmetics or external preparations for skin | AJINOMOTO CO., INC. (JP) | 2004-08-12 | — | — | US | disclosed |
| EP-1374831-A1 | COMSETICS OR EXTERNAL PREPARAIOTNS FOR SKIN | Ajinomoto Co., Inc. (JP) | 2004-01-02 | — | — | EP | disclosed |