Tromethamine

SCHEMBL9075697

C=C(C)C(=O)OC(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.NC(CO)(CO)CO.O=C1CCCN1

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

DHFR GART PTGFR PTGIR PTGS1 PTGS2 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 env murA thyA

The experimentally established mechanism targets of Tromethamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
Tromethamine SCHEMBL1969065	0.85	—	—
SCHEMBL65879	0.75	TSHR (0.35)	—
Glycerin SCHEMBL2138419	0.71	TSHR (0.30)	—
SCHEMBL9418352	0.71	TSHR (0.32)	—
2-Pyrrolidone SCHEMBL28304484	0.70	OR51E2 (0.44)	—
SCHEMBL17451090	0.69	LMNA (0.34)	—
SCHEMBL5837859	0.69	TSHR (0.33)	—
SCHEMBL8167214	0.69	TSHR (0.33)	—
SCHEMBL4972445	0.69	TSHR (0.33)	—
2-Pyrrolidone SCHEMBL9075700	0.68	OR51E2 (0.35)	—

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0692100-A1	IMPROVED ITACONATE COPOLYMERIC COMPOSITIONS FOR CONTACT LENSES	POLYMER TECHNOLOGY CORPORATION (US)	1996-01-17	—	—	EP	disclosed