⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL902114 | 0.63 | — | — | |
| SCHEMBL6479015 | 0.61 | — | — | |
| SCHEMBL4361209 | 0.61 | — | — | |
| SCHEMBL9920588 | 0.48 | — | — | |
| SCHEMBL10172943 | 0.48 | — | — | |
| SCHEMBL29891586 | 0.48 | ALDH1A1 (0.32) | — | |
| Quinoxaline SCHEMBL27798154 | 0.48 | ALDH1A1 (0.55) | — | |
| SCHEMBL138622 | 0.45 | ADORA2A (0.36) | — | |
| SCHEMBL29357583 | 0.45 | ADORA2A (0.36) | — | |
| SCHEMBL14380284 | 0.45 | ALDH1A1 (0.36) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9605003-B2 | Heterocyclic compounds and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2017-03-28 | — | — | US | disclosed |
| US-20150246932-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. | 2015-09-03 | — | — | US | disclosed |
| US-9056877-B2 | Heterocyclic compounds and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2015-06-16 | — | — | US | disclosed |
| EP-2734530-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | Infinity Pharmaceuticals, Inc. (US) | 2014-05-28 | — | — | EP | disclosed |
| US-20130029984-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INTELLIKINE, LLC (US) | 2013-01-31 | — | — | US | disclosed |
| WO-2013012918-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS INC. (US) | 2013-01-24 | — | — | WO | disclosed |
| EP-0327239-B1 | 1-carbacephalosporin antibiotics | LILLY CO ELI (US) | 1994-06-22 | — | — | EP | disclosed |
| US-5019571-A | 1-carbacephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1991-05-28 | — | — | US | disclosed |
| US-5011938-A | Antimicrobials | ELI LILLY AND COMPANY (US) | 1991-04-30 | — | — | US | disclosed |
| US-4940718-A | BACTERICIDES | ELI LILLY AND COMPANY (US) | 1990-07-10 | — | — | US | disclosed |
| US-4902707-A | Bicyclic pyrazolidinones, compositions and use | ELI LILLY AND COMPANY (US) | 1990-02-20 | — | — | US | disclosed |
| EP-0327239-A1 | 1-carbacephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1989-08-09 | — | — | EP | disclosed |
| EP-0203722-A1 | Bicyclic pyrazolidinones | ELI LILLY AND COMPANY (US) | 1986-12-03 | — | — | EP | disclosed |
| EP-0202046-A1 | 7-Substituted bicyclic pyrazolidinones | ELI LILLY AND COMPANY (US) | 1986-11-20 | — | — | EP | disclosed |