⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12873776 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL6168407 | 0.76 | — | — | |
| SCHEMBL6015503 | 0.74 | HIF1A (0.43) | — | |
| SCHEMBL273897 | 0.69 | — | — | |
| SCHEMBL3620691 | 0.69 | — | — | |
| SCHEMBL7527260 | 0.69 | — | — | |
| SCHEMBL9787221 | 0.69 | — | — | |
| SCHEMBL89269 | 0.67 | — | — | |
| SCHEMBL11766777 | 0.67 | HTR2C (0.42) | — | |
| Hydrochloric Acid SCHEMBL1338990 | 0.67 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4749705-A | Quinazoline derivative and anti-hypertensive agents | KOTOBUKI SEIYAKU CO., LTD. (JP) | 1988-06-07 | — | — | US | claimed |
| JP-62212385-A | — | — | None | — | — | JP | disclosed |
| WO-2017114512-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AS WELL AS PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2017-07-06 | — | — | WO | disclosed |
| EP-2820017-A1 | PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES | Genentech, Inc. (US) | 2015-01-07 | — | — | EP | disclosed |
| WO-2013127267-A1 | PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES | GENENTECH, INC. (US) | 2013-09-06 | — | — | WO | disclosed |
| US-20110053907-A1 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-03-03 | — | — | US | disclosed |
| EP-2276750-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | Auckland Uniservices Limited (NZ) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009120094-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2009-10-01 | — | — | WO | disclosed |
| US-4749705-A | Quinazoline derivative and anti-hypertensive agents | KOTOBUKI SEIYAKU CO., LTD. (JP) | 1988-06-07 | — | — | US | disclosed |
| US-4749705-A | Quinazoline derivative and anti-hypertensive agents | KOTOBUKI SEIYAKU CO., LTD. (JP) | 1988-06-07 | — | — | US | disclosed |
| JP-S62212385-A | QUINAZOLINE DERIVATIVE AND HYPOTENSIVE AGENT AND PRODUCTION THEREOF | KOTOBUKI SEIYAKU KK | 1987-09-18 | — | — | JP | disclosed |