⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5685419 | 1.00 | — | — | |
| SCHEMBL16350521 | 1.00 | — | — | |
| SCHEMBL11267407 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL8563651 | 0.69 | — | — | |
| SCHEMBL10050987 | 0.69 | — | — | |
| SCHEMBL10050983 | 0.69 | — | — | |
| SCHEMBL11409346 | 0.69 | — | — | |
| SCHEMBL11212752 | 0.67 | MEN1 (0.34) | — | |
| SCHEMBL11878755 | 0.67 | — | — | |
| Water SCHEMBL27460201 | 0.66 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170198283-A1 | TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES | NUEVOLUTION A/S (DK) | 2017-07-13 | — | — | US | disclosed |
| US-9688980-B2 | Templated molecules and methods for using such molecules | NUEVOLUTION (DK) | 2017-06-27 | — | — | US | disclosed |
| US-20150315567-A1 | TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES | NUEVOLUTION A/S (DK) | 2015-11-05 | — | — | US | disclosed |
| US-8932992-B2 | Templated molecules and methods for using such molecules | NUEVOLUTION A/S (DK) | 2015-01-13 | — | — | US | disclosed |
| US-7727713-B2 | Templated molecules and methods for using such molecules | NUEVOLUTION A/S (DK) | 2010-06-01 | — | — | US | disclosed |
| US-4319024-A | ALKYLATION | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | disclosed |
| US-4195034-A | Process for the manufacture of N-(substituted)-3-aminoacrylonitriles | DU PONT OF CANADA LIMITED (CA) | 1980-03-25 | — | — | US | disclosed |