⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3656253 | 1.00 | — | — | |
| T-4-Aminocrotonic Acid (Taca) SCHEMBL232135 | 0.80 | — | — | |
| T-4-Aminocrotonic Acid (Taca) SCHEMBL29669578 | 0.80 | — | — | |
| T-4-Aminocrotonic Acid (Taca) SCHEMBL489325 | 0.80 | — | — | |
| T-4-Aminocrotonic Acid (Taca) SCHEMBL339699 | 0.80 | — | — | |
| T-4-Aminocrotonic Acid (Taca) SCHEMBL6461161 | 0.78 | — | — | |
| SCHEMBL3504734 | 0.78 | PPARA (0.65) | — | |
| SCHEMBL3504406 | 0.78 | PPARA (0.59) | — | |
| SCHEMBL3504730 | 0.78 | PPARA (0.65) | — | |
| T-4-Aminocrotonic Acid (Taca) SCHEMBL29953967 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100311757-A1 | Salarins And Tulearins, Compositions And Uses Thereof | RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) | 2010-12-09 | — | — | US | disclosed |
| EP-2200995-A2 | SALARINS AND TULEARINS, COMPOSITIONS AND USES THEREOF | Ramot at Tel-Aviv University Ltd (IL) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009040817-A2 | SALARINS AND TULEARINS, COMPOSITIONS AND USES THEREOF | RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) | 2009-04-02 | — | — | WO | disclosed |