⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL108300 | 0.84 | TSHR (0.41) | — | |
| SCHEMBL1130024 | 0.79 | — | — | |
| SCHEMBL505184 | 0.79 | — | — | |
| SCHEMBL822771 | 0.79 | — | — | |
| SCHEMBL31346310 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL25403063 | 0.77 | — | — | |
| Ethane SCHEMBL9712854 | 0.77 | — | — | |
| SCHEMBL3860250 | 0.77 | — | — | |
| SCHEMBL108317 | 0.77 | — | — | |
| SCHEMBL13815179 | 0.77 | — | — |
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-2940020-A1 | LUCIFERIN LUMINESCENT SUBSTRATE OF MARINE OSTRACOD CRUSTACEAN AND METHOD FOR PRODUCTION THEREOF | National Institute of Advanced Industrial Science and Technology (JP) | 2015-11-04 | — | — | EP | disclosed |
| US-6255335-B1 | BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-07-03 | — | — | US | disclosed |
| CN-1297437-A | Substd. 2-oxo-alkanoic acid-[2-(indol-3-yl)-ethyl] amides | BAYER AG (DE) | 2001-05-30 | — | — | CN | disclosed |
| EP-1071664-A1 | SUBSTITUTED 2-OXO-ALKANOIC ACID- 2-(INDOL-3-YL)-ETHYL] AMIDES | BAYER AG (DE) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999054301-A1 | SUBSTITUTED 2-OXO-ALKANOIC ACID-[2-(INDOL-3-YL)-ETHYL] AMIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-10-28 | — | — | WO | disclosed |
| US-5569668-A | NEMATOPHIN: 3-INDOLEETHYL-3-METHYL-2-OXO-PENTANAMIDE; ANTIBIOTICS | WELICHEM TECHNOLOGY CORPORATION (CA) | 1996-10-29 | — | — | US | disclosed |
| US-4087606-A | ANTIALLERGENS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1978-05-02 | — | — | US | disclosed |
| US-4054591-A | ANTIALLERGIC AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-10-18 | — | — | US | disclosed |