⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2623085 | 1.00 | — | — | |
| SCHEMBL8164734 | 1.00 | — | — | |
| SCHEMBL1246557 | 0.87 | ALDH1A1 (0.57) | — | |
| SCHEMBL1246555 | 0.87 | ALDH1A1 (0.57) | — | |
| SCHEMBL11135300 | 0.85 | ALDH1A1 (0.80) | — | |
| SCHEMBL11135303 | 0.85 | ALDH1A1 (0.80) | — | |
| SCHEMBL15228398 | 0.85 | ALOX15 (0.48) | — | |
| SCHEMBL16444918 | 0.84 | ALOX15 (0.60) | — | |
| SCHEMBL28927498 | 0.82 | ALOX15 (0.57) | — | |
| SCHEMBL9342561 | 0.82 | ALOX15 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170340742-A1 | A METHOD FOR DELIVERING A SUBSTANCE INTO CELLS | Technische Universität Darmstadt (DE) | 2017-11-30 | — | — | US | disclosed |
| EP-3212161-A1 | A METHOD FOR DELIVERING A SUBSTANCE INTO CELLS | Technische Universität Darmstadt (DE) | 2017-09-06 | — | — | EP | disclosed |
| WO-2016066858-A9 | A METHOD FOR DELIVERING A SUBSTANCE INTO CELLS | Technische Universität Darmstadt (DE) | 2016-06-30 | — | — | WO | disclosed |
| WO-2016066858-A1 | A METHOD FOR DELIVERING A SUBSTANCE INTO CELLS | Technische Universität Darmstadt (DE) | 2016-05-06 | — | — | WO | disclosed |
| US-7229987-B2 | Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes | ELI LILLY AND COMPANY (US) | 2007-06-12 | — | — | US | disclosed |
| EP-0711746-A1 | Process for preparing hydroxycarboxylic acids | UNILEVER PLC (GB) | 1996-05-15 | — | — | EP | disclosed |
| US-5502226-A | SELECTIVE REDUCTION OF DIKETONE TO KETO ACIDS USING HYDROGEN IN THE PRESENCE OF BASE | ELIZABETH ARDEN CO., DIVISION OF CONOPCO, INC. (US) | 1996-03-26 | — | — | US | disclosed |
| US-3962354-A | REDUCTION, OXIDATIVE DECYCLIZATION, ALKYL PHENYL ETHER | GIVAUDAN CORPORATION (US) | 1976-06-08 | — | — | US | disclosed |