⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13103814 | 1.00 | — | — | |
| SCHEMBL276163 | 1.00 | — | — | |
| Ethylene SCHEMBL28194771 | 0.94 | SLC22A6 (0.41) | — | |
| SCHEMBL3497456 | 0.88 | SLC22A6 (0.41) | — | |
| SCHEMBL304303 | 0.87 | SLC22A6 (0.50) | — | |
| SCHEMBL5077944 | 0.87 | SLC22A6 (0.50) | — | |
| SCHEMBL11588495 | 0.80 | SLC22A6 (0.46) | — | |
| SCHEMBL3575582 | 0.79 | — | — | |
| SCHEMBL4854472 | 0.79 | — | — | |
| SCHEMBL11409855 | 0.79 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230242480-A1 | Alkyne Compound, Vitamin D Compound, Analytical Method, and Production Method | JEOL LTD. (JP) | 2023-08-03 | — | — | US | disclosed |
| US-20170291955-A1 | BISPECIFIC HER2 ANTIBODIES | ASTRAZENECA UK LIMITED (GB) | 2017-10-12 | — | — | US | disclosed |
| US-20160339114-A1 | TUBULYSIN DERIVATIVES | MEDIMMUNE LLC (US) | 2016-11-24 | — | — | US | disclosed |
| US-9427479-B2 | Tubulysin derivatives | MEDIMMUNE LLC (US) | 2016-08-30 | — | — | US | disclosed |
| US-9309204-B2 | Process for making hydroxylated cyclopentylpyrimidine compounds | ARRAY BIOPHARMA INC. (US) | 2016-04-12 | — | — | US | disclosed |
| US-20150291657-A1 | TUBULYSIN DERIVATIVES | MEDIMMUNE LLC (US) | 2015-10-15 | — | — | US | disclosed |
| US-9062028-B2 | Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-06-23 | — | — | US | disclosed |
| US-9062028-B2 | Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-06-23 | — | — | US | disclosed |
| US-20150099881-A1 | PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS | GENETECH, INC. (US) | 2015-04-09 | — | — | US | disclosed |
| US-20140080788-A1 | NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2014-03-20 | — | — | US | disclosed |
| US-20140080788-A1 | NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2014-03-20 | — | — | US | disclosed |
| US-8304403-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-06 | — | — | US | disclosed |
| US-20100267669-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2010-10-21 | — | — | US | disclosed |
| US-7790770-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-09-07 | — | — | US | disclosed |
| US-20070135631-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-14 | — | — | US | disclosed |
| US-5679671-A | ANGIOTENSIN 1-CONVERTING ENZYME INHIBITOR, VASOPRESSIN ANTAGONISM AND ATRIAL NAUTRIURETIC PEPTIDE HYDROLASE INHIBITOR | EISAI CO., LTD. (JP) | 1997-10-21 | — | — | US | disclosed |
| EP-0671172-A1 | AMINO ACID DERIVATIVE | Eisai Co., Ltd. (JP) | 1995-09-13 | — | — | EP | disclosed |