⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3939674 | 0.81 | MAP3K7 (0.33) | — | |
| SCHEMBL12489591 | 0.79 | — | — | |
| SCHEMBL18989643 | 0.76 | — | — | |
| SCHEMBL30898478 | 0.75 | — | — | |
| SCHEMBL9978972 | 0.75 | — | — | |
| SCHEMBL14889066 | 0.75 | — | — | |
| SCHEMBL7426721 | 0.74 | — | — | |
| SCHEMBL7002479 | 0.73 | — | — | |
| SCHEMBL27897025 | 0.72 | KMT2A (0.31) | — | |
| SCHEMBL7205484 | 0.71 | MAP3K7 (0.30) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3426243-A1 | 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF | Raze Therapeutics Inc. (US) | 2019-01-16 | — | — | EP | disclosed |
| WO-2017156165-A1 | 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2017-09-14 | — | — | WO | disclosed |
| EP-2076496-A1 | AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS | F. Hoffmann-Roche AG (CH) | 2009-07-08 | — | — | EP | disclosed |
| WO-2009016410-A2 | CHEMICAL COMPOUNDS 831 | ASTRAZENECA AB (SE) | 2009-02-05 | — | — | WO | disclosed |
| WO-2008046756-A1 | AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-04-24 | — | — | WO | disclosed |
| EP-1286967-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-05 | — | — | EP | disclosed |
| EP-1242423-A1 | SUBSTITUTED 1,2,3-TRIAZOLO 1,5-a]QUINAZOLINES FOR ENHANCING COGNITION | MERCK SHARP & DOHME LTD. (GB) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001087838-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-22 | — | — | WO | disclosed |
| WO-2001076693-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2001-10-18 | — | — | WO | disclosed |
| WO-2001044250-A1 | SUBSTITUTED 1,2,3-TRIAZOLO[1,5-a]QUINAZOLINES FOR ENHANCING COGNITION | MERCK SHARP & DOHME LIMITED (GB) | 2001-06-21 | — | — | WO | disclosed |