⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL4455541 | 1.00 | — | — | |
| Tetrahydrofuran SCHEMBL27287534 | 1.00 | — | — | |
| Tetrahydrofuran SCHEMBL11115602 | 0.95 | — | — | |
| SCHEMBL8433168 | 0.95 | — | — | |
| Tetrahydrofuran SCHEMBL4109737 | 0.95 | — | — | |
| Tetrahydrofuran SCHEMBL10408382 | 0.95 | — | — | |
| SCHEMBL28035856 | 0.95 | — | — | |
| SCHEMBL9576477 | 0.94 | ALDH1A1 (1.00) | — | |
| Tetrahydrofuran SCHEMBL130914 | 0.94 | — | — | |
| SCHEMBL30432886 | 0.94 | ALDH1A1 (1.00) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3042900-B1 | NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF | FUJIFILM CORP (JP) | 2020-09-23 | — | — | EP | disclosed |
| CN-105037683-B | Polyurethane derived from biomass resource, leather, and polyurethane for shoe sole | 三菱化学株式会社 | 2018-11-06 | — | — | CN | disclosed |
| CN-104892884-B | Polyester polyol derived from biomass resource, and polyurethane for leather and shoe sole | 三菱化学株式会社 | 2018-06-12 | — | — | CN | disclosed |
| EP-3042900-A1 | NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF | Fujifilm Corporation (JP) | 2016-07-13 | — | — | EP | disclosed |
| CN-1051042-A | 20,21-two goes the preparation method of 15 substituted novel derivatives of first eburnamenine | ROUSSEL UCLAF (FR) | 1991-05-01 | — | — | CN | disclosed |
| EP-0409651-A1 | New Process for the preparation of anti-hypertensive benzopyran derivative | ALKALOIDA VEGYESZETI GYAR (HU) | 1991-01-23 | — | — | EP | disclosed |
| EP-0161841-B1 | 2-(N-SUBSTITUTEGUANIDINO)-4-HETERO-ARYLTHIAZOLE ANTIULCER AGENTS | PFIZER INC. (US) | 1989-07-19 | — | — | EP | disclosed |
| US-3962339-A | CONDENSATION OF DIHYDROCARVONE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1976-06-08 | — | — | US | disclosed |