⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10200350 | 0.72 | TRPM8 (0.45) | — | |
| SCHEMBL2124282 | 0.71 | — | — | |
| SCHEMBL19491499 | 0.70 | — | — | |
| SCHEMBL417660 | 0.68 | CHRM2 (0.40) | — | |
| SCHEMBL523674 | 0.67 | — | — | |
| SCHEMBL24760035 | 0.67 | CHRM3 (0.67) | — | |
| Hydrochloric Acid SCHEMBL27303844 | 0.67 | TRPM8 (0.39) | — | |
| SCHEMBL6971473 | 0.67 | — | — | |
| SCHEMBL875579 | 0.65 | TMPRSS15 (0.49) | — | |
| SCHEMBL22961451 | 0.65 | CHRM2 (0.49) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180133225-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | KALA BIO, Inc. | 2018-05-17 | — | — | US | disclosed |
| US-9877970-B2 | Therapeutic compounds and uses thereof | KALA PHARMACEUTICALS, INC. (US) | 2018-01-30 | — | — | US | disclosed |
| US-9827248-B2 | Therapeutic compounds and uses thereof | KALA PHARMACEUTICALS, INC. (US) | 2017-11-28 | — | — | US | disclosed |
| US-20160237093-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | KALA BIO, Inc. | 2016-08-18 | — | — | US | disclosed |
| US-20160235761-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | KALA BIO, Inc. | 2016-08-18 | — | — | US | disclosed |
| US-9353122-B2 | Therapeutic compounds and uses thereof | KALA PHARMACEUTICALS, INC. (US) | 2016-05-31 | — | — | US | disclosed |
| US-20140235634-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | KALA PHARMACEUTICALS, INC. (US) | 2014-08-21 | — | — | US | disclosed |