⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL920118 | 0.78 | — | — | |
| SCHEMBL8146532 | 0.78 | ALDH1A1 (0.54) | — | |
| SCHEMBL270296 | 0.77 | — | — | |
| SCHEMBL18903783 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL19435794 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL11060991 | 0.74 | ALDH1A1 (0.61) | — | |
| SCHEMBL7094868 | 0.74 | ALDH1A1 (0.67) | — | |
| SCHEMBL270348 | 0.73 | — | — | |
| SCHEMBL7093157 | 0.72 | ALDH1A1 (0.70) | — | |
| SCHEMBL921220 | 0.71 | ALDH1A1 (0.63) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0186915-A2 | Novel allylic amines | MERRELL DOW PHARMACEUTICALS INC. (US) | 1986-07-09 | — | — | EP | claimed |
| WO-2012069605-A1 | NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS | DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) | 2012-05-31 | — | — | WO | disclosed |
| US-7713961-B2 | Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-05-11 | — | — | US | disclosed |