⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2353333 | 0.54 | — | — | |
| SCHEMBL19602167 | 0.39 | ALDH1A1 (0.40) | — | |
| Naphthalene SCHEMBL11352343 | 0.37 | CYP2A6 (0.89) | — | |
| Benzene SCHEMBL8992260 | 0.34 | TSHR (0.75) | — | |
| Hydroquinone SCHEMBL11511669 | 0.32 | ALOX15 (1.00) | — | |
| SCHEMBL11875421 | 0.32 | MEN1 (0.61) | — | |
| SCHEMBL31467394 | 0.32 | HPRT1 (0.57) | — | |
| Naphthalene SCHEMBL8613802 | 0.32 | CYP2A6 (1.00) | — | |
| Benzene SCHEMBL434440 | 0.32 | ALDH1A1 (0.70) | — | |
| Benzene SCHEMBL702735 | 0.30 | TP53 (0.60) | — |
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-2753702-B1 | CELL-FREE PREPARATION OF CARBAPENEMS | GREENLIGHT BIOSCIENCES INC (US) | 2021-12-15 | — | — | EP | disclosed |
| US-10844032-B2 | Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors | VANDERBILT UNIVERSITY (US) | 2020-11-24 | — | — | US | disclosed |
| US-20180312485-A1 | SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS | VANDERBILT UNIVERSITY | 2018-11-01 | — | — | US | disclosed |
| US-20170096692-A1 | CELL-FREE PREPARATION OF CARBAPENEMS | GREENLIGHT BIOSCIENCES, INC. (US) | 2017-04-06 | — | — | US | disclosed |
| US-9469861-B2 | Cell-free preparation of carbapenems | GREENLIGHT BIOSCIENCES, INC. (US) | 2016-10-18 | — | — | US | disclosed |
| US-20130065878-A1 | CELL-FREE PREPARATION OF CARBAPENEMS | GREENLIGHT BIOSCIENCES, INC. | 2013-03-14 | — | — | US | disclosed |
| WO-2013036787-A2 | CELL-FREE PREPARATION OF CARBAPENEMS | GREENLIGHT BIOSCIENCES, INC. (US) | 2013-03-14 | — | — | WO | disclosed |
| WO-2005040095-A1 | INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | ASTRAZENECA AB (SE) | 2005-05-06 | — | — | WO | disclosed |