⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL502765 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL502829 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL502828 | 0.99 | — | — | |
| SCHEMBL1990907 | 0.89 | NPC1 (0.59) | — | |
| SCHEMBL29537412 | 0.89 | NPC1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL1990934 | 0.88 | NPC1 (0.57) | — | |
| Hydrochloric Acid SCHEMBL574588 | 0.87 | — | — | |
| SCHEMBL12609582 | 0.83 | — | — | |
| SCHEMBL12609584 | 0.83 | — | — | |
| SCHEMBL503088 | 0.78 | RAB9A (0.52) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130345201-A1 | PHARMACEUTICAL COMBINATION | HOFFMANN-LA ROCHE INC. (US) | 2013-12-26 | — | — | US | claimed |
| CN-103068379-A | Combinations comprising an atypical antipsychotic and a TAAR1 agonist | HOFFMANN LA ROCHE | 2013-04-24 | — | — | CN | claimed |
| US-20120028964-A1 | PHARMACEUTICAL COMBINATION | SEMINIS VEGETABLE SEEDS, INC. | 2012-02-02 | — | — | US | claimed |
| US-20190201410-A1 | TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT | PURDUE PHARMA L.P. (US) | 2019-07-04 | — | — | US | disclosed |
| US-9132136-B2 | Pharmaceutical combination | HOFFMANN-LA ROCHE INC. (US) | 2015-09-15 | — | — | US | disclosed |
| US-9132136-B2 | Pharmaceutical combination | HOFFMANN-LA ROCHE INC. (US) | 2015-09-15 | — | — | US | disclosed |
| US-20130345201-A1 | PHARMACEUTICAL COMBINATION | HOFFMANN-LA ROCHE INC. (US) | 2013-12-26 | — | — | US | disclosed |
| CN-103068379-A | Combinations comprising an atypical antipsychotic and a TAAR1 agonist | HOFFMANN LA ROCHE | 2013-04-24 | — | — | CN | disclosed |
| US-20120028964-A1 | PHARMACEUTICAL COMBINATION | SEMINIS VEGETABLE SEEDS, INC. | 2012-02-02 | — | — | US | disclosed |