⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2713060 | 1.00 | — | — | |
| SCHEMBL16615515 | 1.00 | — | — | |
| SCHEMBL21404230 | 0.89 | DUT (0.34) | — | |
| SCHEMBL21068537 | 0.88 | — | — | |
| SCHEMBL18244588 | 0.82 | LPAR2 (0.31) | — | |
| SCHEMBL18245124 | 0.82 | LPAR2 (0.31) | — | |
| SCHEMBL17997131 | 0.82 | LPAR2 (0.31) | — | |
| SCHEMBL10960604 | 0.80 | — | — | |
| SCHEMBL16615518 | 0.80 | TDP1 (0.32) | — | |
| SCHEMBL27419330 | 0.80 | ALDH1A1 (0.32) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10201533-B2 | Substituted quinolizine derivatives useful as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2019-02-12 | — | — | US | disclosed |
| US-20180028509-A1 | SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-02-01 | — | — | US | disclosed |
| US-9861620-B2 | Substituted quinolizine derivatives useful as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-01-09 | — | — | US | disclosed |
| US-20160228419-A1 | SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-08-11 | — | — | US | disclosed |
| EP-3049081-A1 | SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-08-03 | — | — | EP | disclosed |
| WO-2015048363-A1 | SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-02 | — | — | WO | disclosed |
| US-6998503-B2 | Crystalline solid form of (2S,5Z)-2-amino-7-(ethanimidoylamino)-2-methylhept-5-enoic acid | PHARMACIA CORPORATION (US) | 2006-02-14 | — | — | US | disclosed |
| US-6951889-B2 | 2-amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors | PHARMACIA CORPORATION (US) | 2005-10-04 | — | — | US | disclosed |
| US-20050113451-A1 | 2-amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors | PHARMACIA CORPORATION (US) | 2005-05-26 | — | — | US | disclosed |
| EP-1317421-B1 | 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | PHARMACIA CORP (US) | 2005-02-23 | — | — | EP | disclosed |
| US-20040132822-A1 | Crystalline solid form of (2S,5Z)-2-amino-7-(ethanimidoylamino)-2-methylhept-5-enoic acid | PHARMACIA LLC | 2004-07-08 | — | — | US | disclosed |
| US-20020132849-A1 | 2-Amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors | PHARMACIA LLC | 2002-09-19 | — | — | US | disclosed |